Bernard Testa

Bernard Testa's AcademicInfluence.com Rankings

Bernard Testa

Computer Science

#3929

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#4129

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Machine Learning

#618

World Rank

#625

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Artificial Intelligence

#821

World Rank

#834

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Database

#1172

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#1232

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Computer Science

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Bernard Testa's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Advances in Drug Research (1964) (606)
In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling (2007) (516)
Molecular fields in quantitative structure–permeation relationships: the VolSurf approach (2000) (503)
Inhibitors of Cytochrome P-450s and their mechanism of action. (1981) (387)
Predicting blood-brain barrier permeation from three-dimensional molecular structure. (2000) (372)
Lessons learned from marketed and investigational prodrugs. (2004) (354)
Lipophilicity in drug action and toxicology (1996) (323)
Predicting drug metabolism: experiment and/or computation? (2015) (305)
In silico pharmacology for drug discovery: applications to targets and beyond (2007) (298)
Lipophilicity and Its Relationship with Passive Drug Permeation (2011) (278)
Coumarins derivatives as dual inhibitors of acetylcholinesterase and monoamine oxidase. (2001) (260)
Molecular Lipophilicity Potential, a tool in 3D QSAR: Method and applications (1994) (243)
Drug Metabolism: Chemical and Biochemical Aspects (1976) (241)
Inhibition of monoamine oxidases by functionalized coumarin derivatives: biological activities, QSARs, and 3D-QSARs. (2000) (237)
Assessing drug-likeness--what are we missing? (2008) (216)
Hydrolysis in drug and prodrug metabolism : chemistry, biochemistry, and enzymology (2003) (204)
Morphine 6-glucuronide and morphine 3-glucuronide as molecular chameleons with unexpected lipophilicity. (1991) (201)
Solvent-dependent conformation and hydrogen-bonding capacity of cyclosporin A: evidence from partition coefficients and molecular dynamics simulations. (1993) (179)
The influence of lipophilicity on the pharmacokinetic behavior of drugs: Concepts and examples (2000) (178)
Structure-property relationships of trimetazidine derivatives and model compounds as potential antioxidants. (1998) (168)
Reactions and enzymes in the metabolism of drugs and other xenobiotics. (2012) (164)
Partitioning of solutes in different solvent systems: the contribution of hydrogen-bonding capacity and polarity. (1991) (164)
The skin as a drug-metabolizing organ. (1978) (163)
Percutaneous penetration of drugs: a quantitative structure-permeability relationship study. (1991) (153)
Physicochemical profiling in drug research: a brief survey of the state-of-the-art of experimental techniques (2002) (142)
The influence of stereochemical factors on drug disposition. (1973) (140)
Quantitative Structure-Permeation Relationships (QSPeRs) to Predict Skin Permeation: A Critical Evaluation (2004) (139)
Behavioural and pharmacokinetic studies on nicotine, cytisine and lobeline (1990) (136)
An antifungal gamma-pyrone and xanthones with monoamine oxidase inhibitory activity from Hypericum brasiliense. (1994) (125)
Racemization, Enantiomerization, Diastereomerization, and Epimerization - Their Meaning and Pharmacological Significance (1995) (122)
Pharmacokinetic optimization in drug research (2001) (119)
Chiral inversion and hydrolysis of thalidomide: mechanisms and catalysis by bases and serum albumin, and chiral stability of teratogenic metabolites. (1998) (118)
Immobilized artificial membrane HPLC in drug research. (2003) (116)
Computer-Assisted Lead Finding and Optimization (1997) (113)
Molecular properties and pharmacokinetic behavior of cetirizine, a zwitterionic H1-receptor antagonist. (1998) (112)
Isoquinoline derivatives as endogenous neurotoxins in the aetiology of Parkinson's disease. (1998) (111)
Prodrug research: futile or fertile? (2004) (110)
Lipophilicity measurements of protonated basic compounds by reversed-phase high-performance liquid chromatography : II. Procedure for the determination of a lipophilic index measured by reversed-phase high-performance liquid chromatography (1985) (109)
Stereochemical Aspects of Drug Action and Disposition (1996) (107)
Structural damage to proteins caused by free radicals: asessment, protection by antioxidants, and influence of protein binding. (2001) (105)
Lipophilicity in Molecular Modeling (1996) (105)
Liposome/water lipophilicity: Methods, information content, and pharmaceutical applications (2004) (103)
The Biochemistry of Drug Metabolism – An Introduction (2007) (102)
Lipophilicity and hydrogen-bonding capacity of H1-antihistaminic agents in relation to their central sedative side-effects (1994) (101)
Lipophilicity Profiles of Ampholytes. (1997) (101)
Ionic Partition Diagrams: A Potential−pH Representation (1996) (100)
Lipophilicity measurements of protonated basic compounds by reversed-phase high-performance liquid chromatography : I. Relationship between capacity factors and the methanol concentration in methanol-water eluents (1985) (99)
Chiral aspects of drug metabolism (1986) (99)
Passive lipoidal diffusion and carrier-mediated cell uptake are both important mechanisms of membrane permeation in drug disposition. (2014) (98)
Deprenyl in the management of response fluctuations in patients with Parkinson's disease on levodopa. (1980) (96)
Ligand specificity of the genetic variants of human alpha1-acid glycoprotein: generation of a three-dimensional quantitative structure-activity relationship model for drug binding to the A variant. (1998) (95)
Pharmacokinetic Profiling in Drug Research: Biological, Physicochemical, and Computational Strategies (2006) (95)
Physicochemical and Structural Properties of Non-Steroidal Anti-inflammatory Oxicams (1993) (94)
Polar intermolecular interactions encoded in partition coefficients: an indirect estimation of hydrogen-bond parameters of polyfunctional solutes (1992) (94)
Ionic partition diagrams of ionisable drugs : pH-lipophilicity profiles, transfer mechanisms and charge effects on solvation (1999) (93)
The parametrization of lipophilicity and other structural properties in drug design (1987) (93)
Determination of lipophilicity by reversed-phase high-performance liquid chromatography. Influence of 1-octanol in the mobile phase. (2005) (92)
Electrochemical behaviour and antioxidant activity of some natural polyphenols (1996) (91)
The Biochemistry of Drug Metabolism – An Introduction (2007) (90)
Molecular Factors Influencing Retention on Immobilized Artificial Membranes (IAM) Compared to Partitioning in Liposomes and n-Octanol (2002) (88)
Concepts in drug metabolism (1980) (86)
Stereoselective biotransformation of the selective serotonin reuptake inhibitor citalopram and its demethylated metabolites by monoamine oxidases in human liver. (1998) (84)
Prodrugs: bridging pharmacodynamic/pharmacokinetic gaps. (2009) (82)
Structure-Lipophilicity Relationships of Neutral and Protonated β-Blockers, Part I, Intra- and Intermolecular Effects in Isotropic Solvent Systems (1999) (81)
Esterase-like activity of human serum albumin toward prodrug esters of nicotinic acid. (1997) (79)
Very slow chiral inversion of clopidogrel in rats: a pharmacokinetic and mechanistic investigation. (2000) (78)
Selective inhibitors of monoamine oxidase (MAO‐A and MAO‐B) as probes of its catalytic site and mechanism (1995) (77)
QSAR: Hansch analysis and related approaches (1995) (76)
Compared pharmacological characteristics in humans of racemic cetirizine and levocetirizine, two histamine H1-receptor antagonists. (2003) (76)
Octan-1-ol–water partition coefficients of zwitterionic α-amino acids. Determination by centrifugal partition chromatography and factorization into steric/hydrophobic and polar components (1992) (75)
Lipophilicity in Drug Action and Toxicology: Pliška/Lipophilicity (1996) (75)
Screening of Non‐Alkaloidal Natural Compounds as Acetylcholinesterase Inhibitors (2004) (74)
The so-called "interconversion" of stereoisomeric drugs: an attempt at clarification. (1993) (73)
Screening of unsubstituted cyclic compounds as inhibitors of monoamine oxidases. (1994) (72)
Lipophilicity and solvation of anionic drugs. (2002) (71)
Principles of organic stereochemistry (1979) (70)
The Biochemistry of Drug Metabolism – An Introduction (2008) (70)
The thermodynamics of agonist and antagonist binding to dopamine D-2 receptors. (1986) (70)
Intermolecular Forces Expressed in 1,2-Dichloroethane/Water Partition Coefficients: A Solvatochromic Analysis (1997) (69)
Inhibition of monoamine oxidase-B by condensed pyridazines and pyrimidines: effects of lipophilicity and structure-activity relationships. (1998) (69)
Charge and Delocalisation Effects on the Lipophilicity of Protonable Drugs (1999) (69)
Natural and synthetic geiparvarins are strong and selective MAO-B inhibitors. Synthesis and SAR studies. (2002) (69)
Evaluation and Prediction of Drug Permeation (1999) (68)
The Biochemistry of Drug Metabolism – An Introduction (2006) (67)
Predicting Drug Metabolism – An Evaluation of the Expert System METEOR (2005) (67)
Racemates versus enantiomers in drug development: dogmatism or pragmatism? (1990) (67)
Pharmacokinetics of β-adrenoceptor blockers in obese and normal volunteers (1997) (66)
L‐Dopa Methyl Ester—A Candidate for Chronic Systemic Delivery of L‐Dopa in Parkinson's Disease (1984) (65)
A simple model to predict blood-brain barrier permeation from 3D molecular fields. (2002) (63)
Structural Properties Governing Retention Mechanisms on RP-HPLC Stationary Phases Used for Lipophilicity Measurements (1995) (63)
Physicochemical Characterization of Sildenafil: Ionization, Lipophilicity Behavior, and Ionic-Partition Diagram Studied by Two-Phase Titration and Electrochemistry (2000) (62)
Measurement of partition coefficients by various centrifugal partition chromatographic techniques : A comparative evaluation (1991) (61)
Quantitative Structure–Permeation Relationships for Solute Transport Across Silicone Membranes (2002) (61)
Determination of the enantiomers of citalopram, its demethylated and propionic acid metabolites in human plasma by chiral HPLC. (1995) (61)
Inhibition of monoamine oxidase-B by 5H-indeno[1,2-c]pyridazines: biological activities, quantitative structure-activity relationships (QSARs) and 3D-QSARs. (1995) (61)
Mechanism of transfer of a basic drug across the water 1,2-dichloroethane interface: The case of quinidine (1996) (61)
Natural and Synthetic Xanthones as Monoamine Oxidase Inhibitors: Biological Assay and 3D‐QSAR (2001) (60)
Lipophilicity Behavior of Model and Medicinal Compounds containing a suilfide, sulfoxide, or sulfone moiety (1997) (59)
Inhibition of complex I by isoquinoline derivatives structurally related to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP). (1995) (58)
Do thermodynamic studies provide information on both the binding to and the activation of dopaminergic and other receptors? (1987) (57)
Flavonoids as inhibitors of rat liver monooxygenase activities. (1988) (56)
Measurement of lipophilicity indices by reversed-phase high-performance liquid chromatography : comparison of two stationary phases and various eluents (1991) (56)
L‐Dopa esters as potential prodrugs: behavioural activity in experimental models of Parkinson's disease ‡ (1987) (55)
Biochemistry of redox reactions (1995) (55)
High-performance liquid chromatographic separation of the enantiomers of anti-inflammatory 2-arylpropionates: suitability of the method for in vitro metabolic studies. (1984) (55)
Generalization of ionic partition diagrams to lipophilic compounds and to biphasic systems with variable phase volume ratios. (2001) (54)
Theoretical Parameters to Characterize Antioxidants. Part 1. The case of vitamin E and analogs (1997) (53)
The Biochemistry of Drug Metabolism — An Introduction. Part 2. Redox Reactions and Their Enzymes (2007) (52)
Qualitative structure-metabolism relationships in the hydrolysis of carbamates (2010) (52)
Inhibition of monoamine oxidase by isoquinoline derivatives. Qualitative and 3D-quantitative structure-activity relationships. (1995) (51)
Evidence for the existence of [3H]‐trimetazidine binding sites involved in the regulation of the mitochondrial permeability transition pore (1998) (51)
The MPTP story: MAO activates tetrahydropyridine derivatives to toxins causing parkinsonism. (1990) (50)
The concept of molecular structure in structure–activity relationship studies and drug design (1991) (49)
A stilbene and dihydrochalcones with radical scavenging activities from Loiseleuria procumbens. (2000) (49)
Monoamine oxidase inhibitory activity of some Hypericum species native to South Brazil (2001) (48)
The lipophilicity of deuterium atoms. A comparison of shake-flask and HPLC methods (1984) (48)
Lipophilicity Plays a Major Role in Modulating the Inhibition of Monoamine Oxidase B by 7‐Substituted Coumarins (2006) (48)
The Biochemistry of Drug Metabolism – An Introduction (2009) (47)
Solute water interactions in the organic-phase of a biphasic system.1. Structural influence of organic solutes on the water-dragging effect (1993) (46)
Microscopic Protonation/Deprotonation Equilibria of the Anti‐Inflammatory Agent Piroxicam (1995) (46)
Pattern recognition study of QSAR substituent descriptors (1989) (45)
Pharmacokinetic Profiling in Drug Research (2006) (45)
Trimetazidine reverses calcium accumulation and impairment of phosphorylation induced by cyclosporine A in isolated rat liver mitochondria. (1996) (45)
Xenobiotic metabolism by brain monooxygenases and other cerebral enzymes (1984) (45)
Lipophilicity measurement of nicotinates by reversed-phase high-performance liquid chromatography : Differences in retention behaviour, but similarities of log kw values, in methanol-water and acetonitrile-water eluents (1987) (45)
In silico prediction of human carboxylesterase-1 (hCES1) metabolism combining docking analyses and MD simulations. (2010) (45)
The chromatographic analysis of enantiomers in drug metabolism studies. (1986) (45)
Effects of charge and intramolecular structure on the lipophilicity of nitrophenols (1999) (44)
Immobilized artificial membrane liquid chromatography: proposed guidelines for technical optimization of retention measurements. (2002) (44)
Structural properties governing retention mechanisms on immobilized artificial membrane (IAM) HPLC columns (2002) (44)
Binding of arylpiperazines, (aryloxy)propanolamines, and tetrahydropyridylindoles to the 5-HT1A receptor: contribution of the molecular lipophilicity potential to three-dimensional quantitative structure-affinity relationship models. (1996) (43)
The Biochemistry of Drug Metabolism — An Introduction. Part 4. Reactions of Conjugation and Their Enzymes (2009) (43)
Novel pathways in drug metabolism. (1978) (43)
The Apparent Lipophilicity of Quaternary Ammonium Ions Is Influenced by Galvani Potential Difference, Not Ion-Pairing: A Cyclic Voltammetry Study (2001) (42)
X-ray crystallography and drug action: edited by A. S. Horn and C. J. De Ranter, Oxford University Press, 1984. £30.00 (xii + 514 pages) ISBN 0 19 855185 1 (1985) (42)
Does an endogenous methylpyridinium analogue cause Parkinson's disease? (1985) (42)
FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes (2019) (42)
The Biochemistry of Drug Metabolism – An Introduction (2008) (41)
Homology modeling of human serum carnosinase, a potential medicinal target, and MD simulations of its allosteric activation by citrate. (2006) (41)
Different partitioning behaviour of sulphonyl-containing compounds in reversed-phase high-performance liquid chromatography and octanol-water systems (1988) (41)
Lipophilicity Behaviour of the Zwitterionic Antihistamine Cetirizine in Phosphatidylcholine Liposomes/Water Systems (2001) (41)
Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0 (2010) (41)
Computational Approaches to Lipophilicity: Methods and Applications (2007) (40)
Blood-to-Brain Transfer of Various Oxicams: Effects of Plasma Binding on Their Brain Delivery (1997) (40)
A cellular automata model of enzyme kinetics. (1996) (40)
Molecular electrostatic potentials for characterizing drug-biosystem interactions. (1991) (39)
Theoretical and Experimental Exploration of the Lipophilicity of Zwitterionic Drugs in the 1,2-Dichloroethane/Water System (2002) (39)
Structure–lipophilicity relationships of zwitterionic amino acids (1991) (38)
Comparison of various non-polar stationary phases used for assessing lipophilicity (1989) (38)
Development of molecular hydrogen-bonding potentials (MHBPs) and their application to structure-permeation relations. (2001) (37)
Predicting the Oxidative Metabolism of Statins: An Application of the MetaSite® Algorithm (2007) (37)
Structure-genotoxicity relationships of allylbenzenes and propenylbenzenes: a quantum chemical study. (1994) (37)
Effects of isoquinoline derivatives structurally related to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) on mitochondrial respiration. (1996) (36)
Theoretical conformational studies on some dopamine antagonistic benzamide drugs: 3-pyrrolidyl- and 4-piperidyl derivatives. (1983) (36)
Pharmacokinetics of beta-adrenoceptor blockers in obese and normal volunteers. (1997) (36)
Lipophilicity measurement by reversed-phase high-performance liquid chromatography (RP-HPLC): A comparison of two stationary phases based on retention mechanisms (2004) (35)
Inhibition of [3H]dopamine uptake into striatal synaptosomes by isoquinoline derivatives structurally related to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine. (1996) (35)
Enantiomeric resolution of sulfoxides on a DACH-DNB chiral stationary phase: A quantitative structure-enantioselective retention relationship (QSERR) study (1993) (35)
Exploration of the pharmacophore of 3-alkyl-5-arylimidazolidinediones as new CB1 cannabinoid receptor ligands and potential antagonists: Synthesis, lipophilicity, affinity, and molecular modeling : additions and corrections (2002) (35)
The toxic actions of MPTP and its metabolite MPP+ are not mimicked by analogues of MPTP lacking an N-methyl moiety (1985) (35)
Metabolic chiral inversion of anti-inflammatory 2-arylpropionates: lack of reaction in liver homogenates, and study of methine proton acidity. (1988) (34)
Stereoselective drug metabolism and its significance in drug research. (1988) (34)
The biochemistry of drug metabolism : principles, redox reactions, hydrolyses (2008) (34)
PHARMACODYNAMICS, PHARMACOKINETICS AND TOXICITY OF IBUPROFEN ENANTIOMERS (1997) (34)
Ionic Partition Diagram of the Zwitterionic Antihistamine Cetirizine (2001) (34)
The Prediction of Substituent Interactions in the Lipophilicity of Disubstituted Benzenes using RP‐HPLC (1985) (34)
Intramolecular Interactions Encoded in Lipophilicity: Their Nature and Significance (2008) (34)
Substrate and product stereoselectivity in monooxygenase-mediated drug activation and inactivation. (1988) (34)
Transfer Mechanism of Ionic Drugs: Piroxicam as an agent facilitating proton transfer (1996) (33)
Mechanisms of chiral recognition in xenobiotic metabolism and drug-receptor interactions. (1989) (33)
Emergence and Dissolvence in the Self-organisation of Complex Systems (2000) (33)
X-ray crystal structure, partitioning behavior, and molecular modeling study of piracetam-type nootropics: insights into the pharmacophore. (1995) (32)
pH-dependency of basic ligand binding to α1-acid glycoprotein (orosomucoid) (1991) (32)
Similarities of pharmacophoric patterns revealed by the MEP of metoclopramide, molindone and piquindone, a subgroup of dopamine D-2 receptor antagonists (1986) (32)
Potent lipophilic substituted benzamide drugs are not selective D‐1 dopamine receptor antagonists in the rat (1983) (32)
Quantitative monitoring of tamoxifen in human plasma extended to 40 metabolites using liquid-chromatography high-resolution mass spectrometry: new investigation capabilities for clinical pharmacology (2014) (32)
Mechanisms of Liposomes/Water Partitioning of (p-Methylbenzyl)alkylamines (1998) (31)
[3H]‐Trimetazidine mitochondrial binding sites: regulation by cations, effect of trimetazidine derivatives and other agents and interaction with an endogenous substance (2000) (31)
Predicting drug metabolism: Concepts and challenges (2004) (31)
Synthesis and monoamine oxidase inhibitory activity of new pyridazine-, pyrimidine- and 1,2,4-triazine-containing tricyclic derivatives. (2007) (31)
Prodrugs revisited: The “ad hoc” approach as a complement to ligand design (1996) (31)
The effect of bromocriptine on locomotor activity and cerebral catecholamines in rodents (1977) (30)
Signs of the times: the need for a stereochemically informative generic name system. (1989) (30)
Solvatochromic Analysis of the Retention Mechanism of two Novel Stationary Phases Used for Measuring Lipophilicity by RP-HPLC (1992) (30)
Toxicity to PC12 cells of isoquinoline derivatives structurally related to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (1996) (29)
Cellular automata models of biochemical phenomena (1999) (29)
Organic Stereochemistry. Part 3 (2013) (29)
Centrifugal counter-current chromatography, a promising means of measuring partition coefficients (1990) (29)
Metabolic chiral inversion of ibuprofen in isolated rat hepatocytes. (1990) (29)
The biochemistry of drug metabolism (2008) (29)
Inhibition of alpha-ketoglutarate dehydrogenase by isoquinoline derivatives structurally related to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP). (1995) (28)
Drug Metabolism for the Perplexed Medicinal Chemist (2009) (28)
In vitro biotransformation of the selective serotonin reuptake inhibitor citalopram, its enantiomers and demethylated metabolites by monoamine oxidase in rat and human brain preparations (2002) (28)
Interaction of neuroleptic drugs with rat striatal D-1 and D-2 dopamine receptors: a quantitative structure—affinity relationship study (1988) (28)
Structural effects in the lipophilicity of di- and polysubstituted benzenes as measured by reversed-phase high-performance liquid chromatography (1987) (28)
pH-dependence of warfarin binding to alpha 1-acid glycoprotein (orosomucoid). (1993) (26)
A systems approach to molecular structure, intermolecular recognition, and emergence‐dissolvence in medicinal research (1997) (26)
Kinetics and Mechanisms of Racemization: 5-Substituted Hydantoins (= Imidazolidine-2,4-diones) as Models of Chiral Drugs (1996) (26)
The pH-Partition Profile of the Anti-Ischemic Drug Trimetazidine May Explain Its Reduction of Intracellular Acidosis (1999) (26)
Novel RPLC stationary phases for lipophilicity measurement: solvatochromic analysis of retention mechanisms for neutral and basic compounds. (2005) (26)
Predicting the physicochemical profile of diastereoisomeric histidine-containing dipeptides by property space analysis. (2012) (26)
Design of intramolecularly activated prodrugs. (1998) (26)
Determination of Lipophilicity and Hydrogen‐bond Donor Acidity of Bioactive Sulphonyl‐containing Compounds by Reversed‐phase HPLC and Centrifugal Partition Chromatography and their Application to Structure‐activity Relations (1991) (26)
Solvatochromic analysis of di-n-butyl ether/water partition coefficients as compared to other solvent systems (1997) (25)
ENZYMATIC HYDROLYSIS BY MOUSE SKIN HOMOGENATES: STRUCTURE-METABOLISM RELATIONSHIPS OF PARA-NITROBENZOATE ESTERS (1981) (25)
Hepatocyte hollow‐fibre bioreactors: design, set‐up, validation and applications (2003) (25)
Novel drug metabolites produced by functionalization reactions: chemistry and toxicology. (1978) (25)
Protein Protection by Antioxidants: Development of a Convenient Assay and Structure-Activity Relationships of Natural Polyphenols (2002) (25)
Quantitative structure-metabolism relationship analyses of MAO-mediated toxication of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine and analogues. (1992) (25)
Binding Space Concept: A New Approach To Enhance the Reliability of Docking Scores and Its Application to Predicting Butyrylcholinesterase Hydrolytic Activity. (2017) (25)
Monoamine oxidase inhibitory properties of some benzazoles: Structure-; Activity relationships (1999) (24)
Quantitative structure-activity relationships and eudismic analyses of the presynaptic dopaminergic activity and dopamine D2 and sigma receptor affinities of 3-(3-hydroxyphenyl)piperidines and octahydrobenzo[f]quinolines. (1987) (24)
Analogues of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine as monoamine oxidase substrates: a second ring is not necessary (1987) (24)
A cellular automata model of diffusion in aqueous systems. (1997) (24)
Solvatochromic Analysis of Partition Coefficients in the o-Nitrophenyl Octyl Ether (o-NPOE)/Water System (2003) (24)
Molecular electrostatic potential of orthopramides: implications for their interaction with the D-2 dopamine receptor. (1986) (23)
Hepatic pharmacology: mechanisms of action and classification of antinecrotic hepatoprotective agents (1982) (23)
The relative partitioning of neutral and ionised compounds in sodium dodecyl sulfate micelles measured by micellar electrokinetic capillary chromatography. (2002) (23)
Solute water interactions in the organic-phase of a biphasic system.2. effects of organic-phase and temperature on the water-dragging effect (1994) (23)
Structure-Lipophilicity and Structure-Polarity Relationships of Amino-Acids and Peptides (1995) (23)
The concept of regioselectivity in drug metabolism (1976) (22)
Muscarinic Receptors: A Comparative Analysis of Structural Features and Binding Modes through Homology Modelling and Molecular Docking (2006) (22)
Synthesis and monoamine oxidase inhibitory activity of 3-substituted 5H-indeno[1,2-c]pyridazines (1993) (22)
In vitro inhibition by stiripentol of rat brain cytochrome P-450-mediated naphthalene hydroxylation. (1988) (21)
Musings on ADME Predictions and Structure–Activity Relations (2005) (21)
H3-receptor antagonists: synthesis and structure-activity relationships of para- and meta-substituted 4(5)-phenyl-2-[[2-[4(5)-imidazolyl]ethyl]thio]imidazoles. (1997) (21)
Substituted Xanthones as Selective and Reversible Monoamine Oxidase A (MAO-A) Inhibitors (1993) (21)
A theoretical conformational study of substituted o‐anisamides as models of a class of dopamine antagonists (1981) (21)
The Biochemistry of Drug Metabolism — An Introduction. Part 6. Inter-Individual Factors Affecting Drug Metabolism (2009) (21)
Bicarbonate-catalyzed hydrolysis of hexamethylene diisocyanate to 1,6-diaminohexane. (1991) (21)
Nigral cell loss produced by infusion of isoquinoline derivatives structurally related to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine. (1996) (21)
ADME-Tox approaches (2007) (21)
The Biochemistry of Drug Metabolism — An Introduction. Part 1. Principles and Overview (2007) (21)
Low configurational stability of amfepramone and cathinone: Mechanism and kinetics of chiral inversion (1995) (20)
Partition coefficients of ionizable compounds in o-nitrophenyl octyl ether/water measured by the potentiometric method. (2003) (20)
Partition Coefficient and Molecular Flexibility: The Concept of Lipophilicity Space (2009) (20)
Organic Stereochemistry. Part 2 (2013) (20)
Toxication of MPTP (1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine) and analogs by monoamine oxidase. A structure-reactivity relationship study. (1990) (20)
Clinical pharmacology of oxicams: new insights into the mechanisms of their dose-dependent toxicity. (1993) (20)
The Biochemistry of Drug Metabolism – An Introduction (2009) (20)
The binding of agonists and antagonists to rat lung beta-adrenergic receptors as investigated by thermodynamics and structure-activity relationships. (1986) (20)
A cellular automata model of ligand passage over a protein hydrodynamic landscape. (2002) (19)
Esters of Pyrazinoic Acid Are Active against Pyrazinamide-Resistant Strains of Mycobacterium tuberculosis and Other Naturally Resistant Mycobacteria In Vitro and Ex Vivo within Macrophages (2015) (19)
Use of centrifugal partition chromatography for assessing partition coefficients in various solvent systems (1989) (19)
l‐Dopa esters as potential prodrugs: effect on brain concentration of dopamine metabolites in reserpinized mice ‡ (1987) (19)
Human Serum Albumin Conformational Changes as Induced by Tenoxicam and Modified by Simultaneous Diazepam Binding (1993) (19)
Interactions of anti-inflammatory 2-arylpropionates (profens) with the metabolism of fatty acids: in vitro studies. (1994) (19)
The racemization of enantiopure drugs: Helping medicinal chemists to approach the problem (1997) (19)
The Esterase-Like Activity of Serum Albumin May Be Due to Cholinesterase Contamination (2001) (19)
Complexity and emergence in drug research (1995) (19)
Theoretical Parameters to Characterize Antioxidants. Part 2. The cases of melatonin and carvedilol (1998) (18)
Structure-reactivity relationships in the chemical hydrolysis of prodrug esters of nicotinic acid (1990) (18)
Organic stereochemistry. Part 5 : Stereoselectivity in molecular and clinical pharmacology (2013) (18)
The Biochemistry of Drug Metabolism — An Introduction. Part 3. Reactions of Hydrolysis and Their Enzymes (2007) (18)
Enzymic hydrolysis of nicotinate esters: comparison between plasma and liver catalysis. (1992) (18)
Exploring the space of histidine containing dipeptides in search of novel efficient RCS sequestering agents. (2013) (17)
The solute-solvent system: solvent constraints on the conformational dynamics of acetylcholine. (2002) (17)
L-DOPA esters as potential prodrugs. I: Physicochemical properties (1985) (17)
The Partition Coefficient of Protonated Antihistamines. Its calculation and interpretation in terms of hydrophobic fragmental constants (1978) (17)
Influence of Lipophilicity and Chirality on the Selectivity of Ligands for β1‐ and β2‐Adrenoceptors (1988) (17)
Esters of L‐Dopa: Structure‐hydrolysis Relationships and Ability to Induce Circling Behaviour in an Experimental Model of Hemiparkinsonism (1995) (17)
Inhibition of &agr;‐Ketoglutarate dehydrogenase by isoquinoline derivatives structurally related to 1 ‐methyl‐4‐phenyl‐1,2,3,6‐tetrahydropyridine (MPTP) (1995) (17)
Physicochemical properties and transport behaviour of piribedil: Considerations on its membrane-crossing potential (1992) (17)
The molecular behaviour of cetirizine (1997) (17)
Modeling of beta-adrenoceptors based on molecular electrostatic potential studies of agonists and antagonists. (1988) (16)
Imidazole H3-antagonists: relationship between structure and ex vivo binding to rat brain H3-receptors. (2004) (16)
NMR conformational study of aminoalkylbenzamides, aminoalkyl-o-anisamides, and metoclopramide, a dopamine receptor antagonist (1984) (16)
Aryl hydrocarbon hydroxylase in rat brain microsomes (1985) (16)
The conformational and property space of acetylcholine bound to muscarinic receptors: an entropy component accounts for the subtype selectivity of acetylcholine. (2007) (16)
Influence of Ionization State on the Activation of Temocapril by hCES1: A Molecular‐Dynamics Study (2009) (16)
QSAR of nortropane-substituted benzamides: use of lipophilic (RP-HPLC) and electronic (1H NMR) parameters (1989) (16)
Structural Factors Affecting the Basicity of ω-Pyridylalkanols, ω-Pyridylalkanamides and ω-Pyridylalkylamines (1982) (16)
Recognition forces involved in mitochondrial binding to a low-affinity trimetazidine binding site related to anti-ischemic activity. (2002) (16)
Ionization and Partitioning Profiles of Zwitterions: The case of the anti‐inflammatory drug azapropazone (1996) (15)
Structural and electronic factors influencing the inhibition of aniline hydroxylation by alcohols and their binding to cytochrome P-450. (1981) (15)
Solvent constraints on the property space of acetylcholine. I. Isotropic solvents. (2005) (15)
Intrinsic and intramolecular lipophilicity effects in O-glucuronides (1998) (15)
Interaction of psychotropic drugs with monoamine oxidase in rat brain (2001) (15)
Lipophilicity Profiles of Ampholytes (1998) (15)
Mechanism of ligand binding to alpha 1-acid glycoprotein (orosomucoid): correlated thermodynamic factors and molecular parameters of polarity. (1995) (15)
Lipophilicity Behavior of Model and Medicinal Compounds Containing a Sulfide, Sulfoxide, or Sulfone Moiety. (1997) (15)
Quantitative structure-activity relationships in drug metabolism and disposition: pharmacokinetics of N-substituted amphetamines in humans. (1980) (15)
Development and Validation of an HPLC Method for the Simultaneous Monitoring of Bromazepam and Omeprazole (2008) (15)
A cellular automata model of the hydrophobic effect. (1995) (15)
Liver drugs : from experimental pharmacology to therapeutic application (1988) (15)
Inhibiting or potentiating effects of flavonoids on carbon tetrachloride-induced toxicity in isolated rat hepatocytes. (1986) (15)
Pharmacokinetic and pharmacodynamic events: can they always be distinguished? (1987) (15)
Electrochemical Behavior and Antioxidant Activity of Some Natural Polyphenols. (1996) (15)
Immobilized Artificial Membrane HPLC in Drug Research (2003) (14)
MetaQSAR: An Integrated Database Engine to Manage and Analyze Metabolic Data. (2017) (14)
Water-dragging effect : a new experimental hydration parameter related to hydrogen-bond-donor acidity (1990) (14)
Conformation, electrostatic potential and pharmacophoric pattern of orthopramides and other dopamine receptor antagonists (1986) (14)
Influence of palmitate and benzoate on the unidirectional chiral inversion of ibuprofen in isolated rat hepatocytes. (1992) (14)
Circular dichroic determination of the preferred conformation of nicotine and related chiral alkaloids in aqueous solution. (1973) (14)
Structure‐Metabolism Relations and the Challenge of Predicting Biotransformation (2007) (14)
Organic stereochemistry. Part 4 : isomerisms about single bonds and in cyclic systems (2013) (14)
Exploration of the pharmacophore of 3-alkyl-5-arylimidazolidinediones as new CB(1) cannabinoid receptor ligands and potential antagonists: synthesis, lipophilicity, affinity, and molecular modeling. (2002) (14)
Nasal formulations of ketorolac tromethamine: technological evaluation--bioavailability and tolerability in rabbits. (1993) (14)
Basicity, Lipophilicity, and Lack of Receptor Interaction of N‐Aminoalkylbenzamides and N‐Aminoalkyl‐o‐anisamides as Model Compounds of Dopamine Antagonists (1983) (13)
Thermodynamics and mechanism of partitioning of pyridylalkanamides in n-octanol/ water and di-n-butyl ether/water (1987) (13)
Mechanisms and pharmaceutical consequences of processes of stereoisomerisation - A didactic excursion. (2016) (13)
The development of a hydration factor ω and its relation to correction terms in current hydrophobic fragmental systems (1983) (13)
A reappraisal of the stereoselective metabolism of nicotine to nicotine-1'-N-oxide. (1976) (13)
Lipophilicity and Related Molecular Properties as Determinants of Pharmacokinetic Behaviour (2000) (13)
Concepts in prodrug design to overcome pharmacokinetic problems. (2007) (13)
Molecules as complex adaptative systems: constrained molecular properties and their biochemical significance. (2000) (13)
Natural and Synthetic Xanthones as Monoamine Oxidase Inhibitors: Biological Assay and 3D-QSAR. (2001) (13)
8-Substituted Xanthines As Phosphodiesterase Inhibitors - Conformation-Dependent Lipophilicity and Structure-Activity-Relationships (1989) (13)
Stereoelectronic study of zetidoline, a dopamine D2 receptor antagonist. (1989) (13)
Effects of solvation on the ionization and conformation of raclopride and other antidopaminergic 6-methoxysalicylamides: insight into the pharmacophore (1993) (13)
Solvent constraints on the property space of acetylcholine. 2. Ordered media. (2005) (13)
Botanical (morphological, micrographic), chemical and pharmacological characteristics of Pfaffia species (Amaranthaceae) native to South Brazil (2003) (13)
PCILO and CD. Conformational study of sulpiride, a dopamine antagonist (1981) (13)
Lipophilicity: The Empirical Tool and the Fundamental Objective. An Introduction (2008) (12)
Criteria for the acceptability of experimental evidence for the enantiomeric composition of xenobiotics and their metabolites. (1987) (12)
Isotope effects on the lipophilicity of deuterated caffeines (1989) (12)
Types of stereoselectivity in drug metabolism: a heuristic approach (2015) (12)
A Cellular Automata Model of Micelle Formation (1996) (12)
Drug Racemization and Its Significance in Pharmaceutical Research (2003) (12)
Studies of Ligand Diffusion Pathways over a Protein Surface (2003) (12)
The Hydrolysis of Amides (2006) (12)
The Biochemistry of Drug Metabolism: Conjugations, Consequences of Metabolism, Influencing Factors (2010) (12)
The influence of conformational factors on the metabolic conjugation of aryloxyacetates (1986) (12)
The development of a stable oral solution of captopril for paediatric patients (2007) (12)
QSAR in drug metabolism and disposition. An application to the affinity for cytochrome P-450 and hepatic clearance of barbiturates. (1978) (12)
Principles of Drug Metabolism 2: Hydrolysis and Conjugation Reactions (2007) (12)
Novel Basic Isoflavones as Inhibitors of Bone Resorption (2001) (11)
Quantitative Structure‐Affinity Relationships of Dopamine D2 Receptor Antagonists: A Comparison between Orthopramides and 6‐Methoxysalicylamides (1991) (11)
Nonenzymatic contributions to xenobiotic metabolism. (1982) (11)
pH-dependency of basic ligand binding to alpha 1-acid glycoprotein (orosomucoid). (1991) (11)
Preparative separation of diastereoisomeric 2-arylpropionic acid derivatives by centrifugal thin-layer chromatography (1986) (11)
Nicotinate Esters: Their Binding to and Hydrolysis by Human Serum Albumin (1992) (11)
A Cellular Automata Model of the Percolation Process (1999) (11)
Introduction: The Why and How of Drug Bioavailability Research (2008) (11)
The bioavailability of bromazepam, omeprazole and paracetamol given by nasogastric feeding tube (2009) (11)
Principles of Drug Metabolism (2010) (10)
Structure–Metabolism Relationships in the Hydrolysis of Nicotinate Esters by Rat Liver and Brain Subcellular Fractions (1991) (10)
Development of a capillary electrophoresis method to monitor protein oxidation and antioxidant protection (1999) (10)
Ex vivo inhibition of rat brain cytochrome P-450 activity by stiripentol. (1988) (10)
Electronic and Conformational Effects on the Lipophilicity of Isomers and Analogs of the Neurotoxin 1‐Methyl‐4‐phenylpyridinium (MPP+) (1991) (10)
Complex systems in drug research: II. The ligand - active site - water confluence as a complex system (1996) (10)
Range and sensitivity as descriptors of molecular property spaces in dynamic QSAR analyses. (2005) (10)
The Hydrolysis of Carboxylic Acid Ester Prodrugs (2006) (10)
Clofibric acid increases the undirectional chiral inversion of ibuprofen in rat liver preparations. (1996) (10)
A systems approach to molecular structure, intermolecular recognition, and emergence-dissolvence in medicinal research. (1997) (10)
Atomic Diversity, Molecular Diversity, and Chemical Diversity: The Concept of Chemodiversity (2009) (10)
Insight into the Lipophilicity of the Aromatic N-Oxide Moiety (1996) (10)
The temperature dependence of steady-state kinetics: what can be learned about pig liver esterase stereospecificity? (1994) (10)
Organic Stereochemistry. Part 8 (2013) (9)
Development of an in Vitro Rat Intestine Segmental Perfusion Model to Investigate Permeability and Predict Oral Fraction Absorbed (2006) (9)
Prodrug Objectives and Design (2007) (9)
Toroidal coil centrifugal partition chromatography, a method for measuring partition coefficients. (1991) (9)
Prediction of the Formation of Reactive Metabolites by A Novel Classifier Approach Based on Enrichment Factor Optimization (EFO) as Implemented in the VEGA Program (2018) (9)
Mechanisms of inhibition of xenobiotic-metabolizing enzymes. (1990) (9)
Dispersal (Entropy) and Recognition (Information) as Foundations of Emergence and Dissolvence (2009) (9)
An ab initio study of electronic factors in metabolic hydroxylation of aliphatic carbon atoms. (1978) (9)
Complex systems in drug research: I. The chemical levels (1996) (9)
WHAT DIFFERENTIATES FREE AMINO ACIDS AND AMINOACYL RESIDUES? AN EXPLORATION OF CONFORMATIONAL AND LIPOPHILICITY SPACES (1999) (9)
Structure-affinity relationships of baclofen and 3-heteroaromatic analogues. (1995) (9)
Organic Stereochemistry. Part 1. Symmetry Elements and Operations, Classification of Stereoisomers (2013) (9)
Chemodiversity and molecular plasticity: recognition processes as explored by property spaces. (2011) (9)
Conformational constraints on side chains in protein residues increase their information content (2003) (9)
Structure‐Property Relationships in the Basicity and Lipophilicity of Arylalkylamine Oxides (1999) (9)
Valofan diastereoisomers: their analysis by high-performance liquid chromatography and interconversion wth proxibarbal in aqueous solution (1979) (9)
Stereoselectivity in Metabolic Reactions of Toxication and Detoxication (1994) (8)
Organic stereochemistry. Part 6 : the conformation factor in molecular pharmacology (2013) (8)
Interactions between the in vitro metabolism of xenobiotics and fatty acids. The case of ibuprofen and other chiral profens. (1995) (8)
The Biochemistry of Drug Metabolism — An Introduction. Part 5. Metabolism and Bioactivity (2009) (8)
The Molecular Lipophilicity Potential (MLP): A New Tool for log P Calculations and Docking, and in Comparative Molecular Field Analysis (CoMFA) (2008) (8)
A Fresh Look at Molecular Structure and Properties (2007) (8)
Polar intermolecular interactions encoded in partition coefficients and their interest in QSAR (1993) (8)
A continuous fluorimetric method to monitor the enzymatic hydrolysis of medicinal esters. (1996) (8)
Organic Stereochemistry. Part 3. Other Stereogenic Elements: Axes of Chirality, Planes of Chirality, Helicity, and (E,Z)-Diastereoisomerism (2013) (8)
Prediction of UGT-mediated Metabolism Using the Manually Curated MetaQSAR Database. (2019) (8)
Chapter 1 The geometry of molecules: Basic principles and nomenclatures (1982) (8)
Screening of the inhibitory effect of xenobiotics on alcohol metabolism using S9 rat liver fractions. (2012) (8)
Modelling the Metabolic Epimerization of Anti‐inflammatory 2‐Arylpropanoyl‐coenzyme‐A Conjugates: Solvent effects on the 1H/2H exchange in S‐[2‐(dimethylamino)ethyl] 2‐phenylpropanethioate (1989) (8)
The Electronic Structure of Dopamine. An ab initio Electrostatic Potential Study of the Catechol Moiety (1985) (8)
Molecular-dynamics and NMR investigation of the property space of the zwitterionic antihistamine cetirizine (2001) (8)
Organic Stereochemistry: Guiding Principles and Bio‐Medicinal Relevance (2013) (8)
Conformational Fluctuations versus Constraints in Amino Acid Side Chains: The Evolution of Information Content from Free Amino Acids to Proteins (2006) (7)
Organic Stereochemistry. Part 7 (2013) (7)
Molecular modeling of hen egg lysozyme HEL[52-61] peptide binding to I-Ak MHC class II molecule. (1998) (7)
Multivariate data modeling of new steric, topological and CoMFA-derived substituent parameters (1993) (7)
Xenobiotic and endobiotic metabolizing enzymes: an overstretched discrimination? (1981) (7)
Development of a method to investigate the hydrolysis of xenobiotic esters by a Mycobacterium smegmatis homogenate. (2011) (7)
Solvent-dependent lipophilicity and hydrogen-bonding capacity of 2-pyridylalkanols (1989) (7)
Stabilization of the Hydrophilic Sphere of lobitridol, an lodinated Contrast Agent, as Revealed by Experimental and Computational Investigations (1995) (7)
Organic Stereochemistry. Part 2. Stereoisomerism Resulting from One or Several Stereogenic Centers (2013) (7)
Pargyline Analogues as Potent, Non‐selective Monoamine Oxidase Inhibitors (1998) (7)
Perspectives in Medicinal Chemistry (1993) (7)
Effects of solvation on the ionization and conformation of raclopride and other antidopaminergic 6-methoxysalicylamides: insight into the pharmacophore. (1993) (7)
Aryl ether O-dealkylase activity in the skin of untreated mice in vitro. (1981) (7)
L-DOPA esters as potential prodrugs. II: Chemical and enzymatic hydrolysis (1985) (7)
[Rheology in the study of Carbopol macromolecules interactions as well as the semi-guantitative determination of the ionic force of their dispersion]. (1973) (7)
Some chemical and stereochemical aspects of diethylpropion metabolism in man. (1973) (7)
Thermodynamic studies of enzyme catalysis. What can we learn about specificity and mechanism? (1994) (6)
On flying wedges, crashing wedges, and perspective‐blind stereochemists (1991) (6)
Chapter 24 – Biotransformation Reactions and their Enzymes (2015) (6)
[Dissociation constants and activity coefficients of Carbopols during their potentiometric titration]. (1972) (6)
Metabolic investigations of proxibarbal [5-allyl-5-(2-hydroxypropyl)barbituric acid] in vitro. (1980) (6)
Synthesis and three-dimensional quantitative structure-activity relationship analysis of H3 receptor antagonists containing a neutral heterocyclic polar group. (2003) (6)
Ionization behavior and ionization-dependent conformation of raclopride, a dopamine-D2 receptor antagonist (1991) (6)
Biotransformation Reactions and Their Enzymes (2008) (6)
Convenient method for the analysis of nicotinic acid as a metabolite of nicotinate esters in various tissue homogenates. (1989) (6)
Proceedings of an International Symposium on Chirality and Biological Activity held at Tübingen, Germany, on 5-8 April 1988. (1990) (6)
A Conformational Study of Antihistaminic Pheniramines in Solution (1974) (5)
31 – BIOTRANSFORMATION REACTIONS (2003) (5)
The influence of aromatic substituents on the binding of substituted benzamides to dopamine D‐2 receptors: congruent QSAR and MEP analyses (1987) (5)
Dual ligand binding of pyridylalkanamides to microsomal cytochrome P-450. (1986) (5)
Organic Stereochemistry. Part 8. Prostereoisomerism and the Concept of Product Stereoselectivity in Biochemistry and Xenobiotic Metabolism (2013) (5)
The interaction of substituted benzamides with brain benzodiazepine binding sites in vitro (1988) (5)
A Cellular Automata Model of Water Structuring by a Chiral Solute (2002) (5)
A Cellular Automata Model of the Hydrophobia Effect (1995) (5)
The influence of hydration and structure-promoting effects on the viscosity of binary solvent mixtures (1988) (5)
Mechanisms of chiral recognition in pharmacology: the Easson-Stedman model revisited (1990) (5)
Influence of stereochemical factors on the partition coefficient of diastereoisomers in a biphasic octan-1 ol-water system (1993) (4)
Use of molecular lipophilicity potential for the prediction of log P (1994) (4)
Valuable Data + Competent Presentation = Good Science (1997) (4)
Chiral recognition in biochemical pharmacology: An overview (2003) (4)
Physicochemical and Structural Properties of Non-Steroidal Antiinflammatory Oxicams. (1993) (4)
Activation of benzoate model prodrugs by mycobacteria. Comparison with mammalian plasma and liver hydrolysis. (2021) (4)
Conjugations, consequences of metabolism, influencing factors (2010) (4)
CHAPTER 5 – Nonenzymatic Biotransformation (1983) (4)
Variation, Natural Selection, and Information Content – A Simulation (2007) (4)
Introduction: Metabolic Hydrolysis and Prodrug Design (2006) (4)
The concept of emergence—dissolvence in drug research (1997) (4)
Structure-Lipophilicity Relationships of Zwitterionic Amino Acids. (1992) (4)
Organic Stereochemistry. Part 7. The Concept of Substrate Stereoselectivity in Biochemistry and Xenobiotic Metabolism (2013) (4)
The Hydrogen Bonding of Drugs: Its Experimental Determination and Role in Pharmacokinetics and Pharmacodynamics (1992) (3)
The Hydrolysis of Carboxylic Acid Esters (2006) (3)
Synthesis, biological activity and molecular modelling of the 53-54 ketomethylene analogue of HEL(52-61) (1998) (3)
[Chirality and drugs]. (2000) (3)
Molecular toxicology and the medicinal chemist. (1998) (3)
Multivariate statistical analysis of L-dopa esters as potential anti-parkinsonian prodrugs. (1987) (3)
Emergent chemodiversity: The case of stereoisomerism in acyclic alkanes. (2017) (3)
VolSurf and Its Application in Structure‐Disposition Relationships (2007) (3)
The lipophilicity behaviour of COMT inhibitors (2002) (3)
X‐Ray and 1H‐NMR Configurational Assignment of Valofan (α‐Allphanoyl‐α‐allyl‐γ‐valerolactone) Diastereoisomers (1984) (3)
Centrifugal Partition Chromatography for Lipophilicity Measurements (2008) (3)
Small Molecules as Exemplars of Emergent Properties and Diversification into the ‘Adjacent Possible’ (2014) (3)
Lipophilicity and hydrogen-bonding capacity : their role in drug-binding and disposition (1993) (2)
Metabolism in Drug Development (2014) (2)
Benzoic Acid Derivatives as Prodrugs for the Treatment of Tuberculosis (2021) (2)
Chirality and biological activity : proceedings of an international symposium held at Tubingen, Federal Republic of Germany, April 5-8, 1988 (1990) (2)
Selective Inhibitors of Monoamine Oxidase (MAO‐A and MAO‐B) as Probes of Its Catalaytic Site and Mechanism (1995) (2)
The effect of cianidanol on rat hepatic monooxygenase activities. (1983) (2)
Classification, Localization, and Some Physiological Roles of Hydrolytic Enzymes (2006) (2)
The Hydrogen-Bond: computational approaches and applications to drug design. (2002) (2)
Lack of enantioselectivity in the SULT1A3-catalyzed sulfoconjugation of normetanephrine enantiomers: an in vitro and computational study. (2013) (2)
Hydration of substituted benzenes. Experimental studies and relationship with lipophilicity (1989) (2)
The Hydration of Epoxides (2006) (2)
The description of rheological curves by a simple empirical function and its calculation by multiple regression. (1978) (2)
Chirality in Drug Research. Edited by Eric Francotte and Wolfgang Lindner. (2007) (2)
Catalytic Mechanisms of Hydrolytic Enzymes (2006) (2)
Stereoselectivity in Drug Disposition and Metabolism: Concepts and Mechanisms (1991) (2)
Simulations in Evolution. II. Relative Fitness and the Propagation of Mutants (2009) (2)
The Reversible Proxibarbal-Valofan Isomerisation. Part I. Kinetic and thermodynamic studies in aqueous solutions (1988) (2)
Solvent-dependent conformation of cyclosporin a: evidence from partition coefficients and molecular dynamics simulations (1993) (2)
THEORETICAL CONFORMATIONAL STUDIES OF SOME DOPAMINE ANTAGONISTIC BENZAMIDE DRUGS: 3-PYRROLIDYL- AND 4-PIPERIDYL DERIVATIVES (1983) (2)
Stereoselective metabolism and toxicology of pyrethroids. (1990) (2)
VolSurf and its interest in structure-disposition relations. (2001) (2)
To Monty Kier, a friendly tribute. (2012) (2)
The Reversible Proxibarbal‐Valofan Isomerisation. Part II. Kinetic studies in a biphasic octanol/water system (1988) (2)
Influence of lipophilicity and chirality on the selectivity of ligands for beta 1- and beta 2-adrenoceptors. (1988) (2)
Screening for physicochemical incompatibilities of intravenous drugs in intensive care units: the case of monobasic potassium phosphate and furosemide (2014) (1)
The Cleavage of Esters of Inorganic Acids (2006) (1)
Regioelectronic factors in metabolic hydroxylation of aliphatic carbon atoms. (1978) (1)
Pharmacokinetic Lead Optimization: Fine Art vs. Blind Technology (2007) (1)
The Concept of Emergence‐Dissolvence in Drug Research (1997) (1)
Multivariate data analyses of QSAR parameters. (1989) (1)
Molecules and Meaning : How Do Molecules Become Biochemical Signals ? (2002) (1)
Pharmaceutical Sciences, Scientist, and Journals—A Tribute to Pharmaceutical Research for Its Coming of Age (2005) (1)
Lipophilicity and conformational behaviour of substituted xanthines. (1989) (1)
Molecular properties and structure‐permeation relations revisited (1998) (1)
Affinity of pyridylalkylamines for nicotinic, muscarinic and histaminic recognition sites in brain tissue preparations. (1986) (1)
Isotope Effects on Lipophilicity and Polarity (1988) (1)
Measurement of partition-coefficients using centrifugal partition chromatography : method development and application to the determination of solute structural-properties (1993) (1)
Drug metabolism as a mutation--drug metabolism in mutation. (1976) (1)
[Dichroic and conformational study of ephedrine, pseudoephedrine and of various analogues]. (1973) (1)
Chirality in drug research - stereomania, stereophobia, or stereophilia (1993) (1)
The Hydrolysis of Peptides: Sections 6.1 – 6.3 (2006) (1)
3D modelling of soybean glyoxysomal malate dehydrogenase (1993) (1)
Fluoroquinolone Derivatives in the Treatment of Mycobacterium tuberculosis Infection (2021) (1)
Comprar The Biochemistry of Drug Metabolism: Volume 2: Conjugations, Consequences of Metabolism, Influencing Factors | Bernard Testa | 9783906390543 | Wiley (2009) (1)
Formulation optimization in a university hospital : The example of pediatric solutions of the ACE inhibitor captopril (2005) (1)
Medicinal Chemistry: A Teacher's and Worker's Perspective (1992) (1)
Handbook of stereoisomers: Therapeutic drugs: edited by Donald F. Smith, CRC Press, 1989. £166.00 (405 pages) ISBN 0 8493 3421 7 (1990) (1)
Organic Stereochemistry. Part 4. Isomerisms about Single Bonds and in Cyclic Systems (2013) (1)
Miscellaneous Reactions of Hydration and Dehydration (2006) (1)
Three-dimensional and electronic analysis of Na+-dependent antidopaminergic agents: tropapride and zetidoline (1986) (1)
Monoamine oxidase inhibitor properties of some benzazoles: structure-activity relationships. (1999) (1)
Preface: Text and Context (1988) (1)
Preface: “Not Known, Because Not Looked For” (1990) (1)
Organic Stereochemistry. Part 5. Stereoselectivity in Molecular and Clinical Pharmacology (2013) (1)
Role of Phase I Metabolism in Drug Activation and Clinical Treatment Outcomes (2012) (1)
Isomerisation and urinary excretion of proxibarbal and valofan in man; a preliminary study (1984) (1)
Approaching Pharmacological Space: Events and Components. (2018) (1)
The Many Faces of Pharmaceutical Research (1995) (1)
Molecular hydrogen-bonding potentials (MHBPs) in structure-permeation relations (2001) (1)
Emerging Chemodiversity and Stereoisomerism in Acyclic Mono‐ and Dichloroalkanes (2018) (0)
Interview with a Distinguished Pharmaceutical Scientist: Bernard Testa (1999) (0)
Organic Stereochemistry. Part 6. The Conformation Factor in Molecular Pharmacology (2013) (0)
N-benzylpiperazine derivatives, process for their preparation and pharmaceutical compositions containing such derivatives (1997) (0)
The Biochemistry of Drug Metabolism – An Introduction (2009) (0)
Professor André Collet 1945-1999. (2000) (0)
The Hydrolysis of Peptides: Sections 6.4 – 6.6 (2006) (0)
A Cellular Automata Study of Constraints (Dissolvence) in a Percolating Many-Particle System (2001) (0)
New derivatives of N-benzylpiperazine, their process for the preparation and pharmaceutical compositions containing them (2001) (0)
MetaPies , an annotated database for metabolism analysis and prediction : results and future perspectives (2011) (0)
A graphical similarity function to help ligand docking to proteins based on the molecular lipophilicity potential : the case of the D 2 dopamine receptor (2004) (0)
The Reversible Proxibarbal-Valofan Isomerization. Part 1. Kinetic and Thermodynamic Studies in Aqueous Solutions. (1988) (0)
BASICITY, LIPOPHILICITY, AND LACK OF RECEPTOR INTERACTION OF N-AMINOALKYLBENZAMIDES AND N-AMINOALKYL-O-ANISAMIDES AS MODEL COMPOUNDS OF DOPAMINE ANTAGONISTS (1983) (0)
[Chiral drugs: pharmacological tools and/or therapeutic problems?]. (1990) (0)
1 Metabolism in Drug Development (2014) (0)
Preface: “One Score Volumes, and a Diet” (1991) (0)
Obituary: Joachim M. Mayer (1949-2001) (2001) (0)
Preface to Volume 5 (2007) (0)
Clinical pharmacology and therapeutics: edited by Paul Turner, Macmillan Publishers, 1980. £40.00 (xvi + 576 pages) ISBN 0 335 31229 5 (paper) (1982) (0)
N-Benzylpiperazinverbindungen, to processes for their preparation and compositions containing them (1994) (0)
New compounds n-benzylpiperazine, their preparation process and pharmaceutical compositions including them. (1994) (0)
WELCOME TO THE XIITH INTERNATIONAL SYMPOSIUM ON MEDICINAL CHEMISTRY (1992) (0)
Synthesis, Biological Activity and Molecular Modelling of the 53-54 Ketomethylene Analogue ofHEL(52-61) . . (1998) (0)
AN AB INITIO STUDY OF ELECTRONIC FACTORS IN METABOLIC HYDROXYLATION OF ALIPHATIC CARBON ATOMS (1978) (0)
New N-benzylpiperazinforbindelser, process for their preparation and pharmaceutical compositions containing them (2002) (0)
Erratum: Editor's note: Professor Andre Collet 1945–1999 (2000) (0)
Molecular lipophilicity potential as a tool in 3D QSAR: Method development and applications (1993) (0)
New derivatives of N-benzylpiperazine, method of preparing them and pharmaceutical compositions containing them (1996) (0)
Inhibition of Monoamine Oxidase‐B by 5H‐Indeno(1,2‐c)pyridazines: Biological Activities, Quantitative Structure‐Activity Relationships ( QSARs) and 3D‐QSARs. (1996) (0)
Molecular volumes in chemistry and biology: Applications including partitioning and toxidty: J. C. McGowan and A. Mellors, Ellis Horwood, 1986. £35 (vi + 259 pages) ISBN 0 7458 0081 5 (1987) (0)
N-benzylpiperazinderivate, processes for their preparation and pharmaceutical compositions containing them (1997) (0)
Beta-adrenoceptor modeling based on MEP studies. (1989) (0)
Synthesis and Monoamine Oxidase Inhibitory Activity of 3‐Substituted 5H‐Indeno(1,2‐c)pyridazines. (1993) (0)
ERRATUM (2004) (0)
Simulations in Evolution. III. Randomness as a Generator of Opportunities (2013) (0)
Additions et corrections : structure genotoxicity relationships of allylbenzenes and propenylbenzenes - A quantum-chemical Study (1995) (0)
Synthesis and MAO Inhibitory Activity of New Pyridazine-, Pyrimidine- and 1,2,4-Triazine-Containing Tricyclic Derivatives (2007) (0)
PCILO AND CD CONFORMATIONAL STUDY OF SULPIRIDE, A DOPAMINE ANTAGONIST (1982) (0)
Evaluation of intravenous drug compatibilities in an adult intensive care unit (2009) (0)
Ionization Behavior and Ionization-Dependent Conformation of Raclopride, a Dopamine D2 Receptor Antagonist. (2010) (0)
Biological models to study blood-brain barrier permeation (2001) (0)
Conclusion: The Biochemistry of Water (2006) (0)
Synthesis and Pharmacochemical Investigation of Some New Arylethanolamines as α3‐Adrenoceptor Ligands (1998) (0)
Intrinsic and Intramolecular Lipophilicity Effects in O‐Glucuronides. (1998) (0)
Editorial—Views and Reviews (1993) (0)
Progress in Drug Research / Fortschritte der Arzneimittelforschung / Progrès des recherches pharmaceutiques (1988) (0)
A Systems Approach to Molecular Structure, Intermolecular Recognition, and Emergence-Dissolvence in Medicinal Research (2010) (0)
Interactions between the in vitro metabolism of xenoblotics and fatty acids—The case of ibuprofen and other chiral profems (1994) (0)
Editorial (2009) (0)
The Reversible Proxibarbal-Valofan Isomerization. Part 2. Kinetic Studies in a Biphasic Octanol/Water System (1988) (0)
[Molecular lipophilicity potential (MLP) in drug design. Complementing theoretical tools with experimental results]. (1996) (0)
8-Substituted Xanthines as Phosphodiesterase Inhibitors: Conformation-Dependent Lipophilicity and Structure-Activity Relationships (1989) (0)
Preface: “All Mimsy Were the Borogoves” (1992) (0)
Effect of topically applied phenobarbital on O-dealkylase activity in mouse skin (1982) (0)
Preface: At The Funfair? (1989) (0)
[Behavior of the system boric acid-sodium acetate]. (1970) (0)
Modelling the Metabolic Epimerization of Antiinflammatory 2-Arylpropanoyl-coenzyme-A Conjugates: Solvent Effects on the 1H/2H Exchange in S-(2-(Dimethylamino)ethyl) 2-Phenylpropanethioate. (1989) (0)
Preface: “Poking the Fire” (1991) (0)
Editorial: Chemistry Probing Nature (2004) (0)
A Great Year behind Us, a Bright Future ahead (2005) (0)
X-RAY AND PROTON NMR CONFIGURATIONAL ASSIGNMENT OF VALOFAN (α-ALLOPHANOYL-α-ALLYL-Γ-VALEROLACTONE) DIASTEREOISOMERS (1984) (0)
The Concept of Property Space: The Case of Acetylcholine (2007) (0)
N-benzylpiperazinforbindelser, process for their preparation and compositions containing the compounds (1994) (0)
Lack of Enantioselectivity in the SULT 1 A 3-catalyzed Sulfoconjugation of Normetanephrine Enantiomers : An In Vitro and Computational Study (2012) (0)
The Hydrolysis of Lactams (2006) (0)
Preface: Circles in drug research (1996) (0)
Molecular modeling in drug design : funny, futile, Or fertile (1994) (0)
The effect of xenobiotics on rat liver alcohol dehydrogenase activity or how medicines can affect the metabolism of alcohol (2009) (0)
The Concept of Molecular Structure in Structure-Activity Relationship Studies and Drug Design (1991) (0)
[Potentiometric study of hydrogels of Carbopol 940 neutralized by some basic active principles]. (1974) (0)
[Pharmacological modulation of mitochondrial oxidative phosphorylation: inhibition by cyclosporine A, restoration by trimetazidine]. (1996) (0)
Preparation and Stability of Mycobacterium tuberculosis and Mycobacterium smegmatis homogenates for studies of prodrug activation (2006) (0)
Technology Update: IV Drugs (2009) (0)
Deprenyl inthemanagementofresponsefluctuations inpatients withParkinson's disease on levodopa (1980) (0)
Stabilization of the hydrophilic sphere of iobitridol. (2003) (0)
Preface: The Search for Consensus (1997) (0)
Reversible inhibition of MAO-A and B by diazoheterocyclic compounds: Development of QSAR/CoMFA models (2000) (0)
In silico prediction of metabolism by human carboxylesterase-1 (hCES1) combining docking analyses and MD simulations (2009) (0)
Partitioning behaviour of piracetam-type cognition enhancers (1993) (0)

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