Pierre‐alain Carrupt
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Pierre‐alain Carruptchemistry Degrees
Chemistry
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Quantum Chemistry
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Physical Chemistry
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Chemistry
Pierre‐alain Carrupt's Degrees
- PhD Chemistry University of Geneva
- Masters Chemistry University of Geneva
- Bachelors Chemistry University of Geneva
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(Suggest an Edit or Addition)Pierre‐alain Carrupt'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
- Molecular fields in quantitative structure–permeation relationships: the VolSurf approach (2000) (503)
- Predicting blood-brain barrier permeation from three-dimensional molecular structure. (2000) (372)
- Drug–protein binding: a critical review of analytical tools (2010) (302)
- 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)
- Stereoselective Block of hERG Channel by (S)‐Methadone and QT Interval Prolongation in CYP2B6 Slow Metabolizers (2007) (242)
- Inhibition of monoamine oxidases by functionalized coumarin derivatives: biological activities, QSARs, and 3D-QSARs. (2000) (237)
- HDAC6 as a target for neurodegenerative diseases: what makes it different from the other HDACs? (2013) (215)
- Morphine 6-glucuronide and morphine 3-glucuronide as molecular chameleons with unexpected lipophilicity. (1991) (201)
- 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)
- Antimitotic and antiproliferative activities of chalcones: forward structure-activity relationship. (2008) (165)
- Partitioning of solutes in different solvent systems: the contribution of hydrogen-bonding capacity and polarity. (1991) (164)
- Monoamine oxidase inhibition by Rhodiola rosea L. roots. (2009) (164)
- Percutaneous penetration of drugs: a quantitative structure-permeability relationship study. (1991) (153)
- Parallel artificial membrane permeability assay: a new membrane for the fast prediction of passive human skin permeability. (2006) (152)
- Quantitative Structure-Permeation Relationships (QSPeRs) to Predict Skin Permeation: A Critical Evaluation (2004) (139)
- Human recombinant monoamine oxidase B as reliable and efficient enzyme source for inhibitor screening. (2005) (133)
- Molecular electrocatalysis for oxygen reduction by cobalt porphyrins adsorbed at liquid/liquid interfaces. (2010) (131)
- Entacapone and Tolcapone, Two Catechol O-Methyltransferase Inhibitors, Block Fibril Formation of α-Synuclein and β-Amyloid and Protect against Amyloid-induced Toxicity* (2010) (122)
- Racemization, Enantiomerization, Diastereomerization, and Epimerization - Their Meaning and Pharmacological Significance (1995) (122)
- 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)
- Molecular properties and pharmacokinetic behavior of cetirizine, a zwitterionic H1-receptor antagonist. (1998) (112)
- In vitro screening assays to identify natural or synthetic acetylcholinesterase inhibitors: thin layer chromatography versus microplate methods. (2008) (112)
- Isoquinoline derivatives as endogenous neurotoxins in the aetiology of Parkinson's disease. (1998) (111)
- Lipophilicity in Molecular Modeling (1996) (105)
- Structural damage to proteins caused by free radicals: asessment, protection by antioxidants, and influence of protein binding. (2001) (105)
- Liposome/water lipophilicity: Methods, information content, and pharmaceutical applications (2004) (103)
- Lipophilicity Profiles of Ampholytes. (1997) (101)
- Lipophilicity and hydrogen-bonding capacity of H1-antihistaminic agents in relation to their central sedative side-effects (1994) (101)
- Ionic Partition Diagrams: A Potential−pH Representation (1996) (100)
- UPLC-TOF-MS for plant metabolomics: a sequential approach for wound marker analysis in Arabidopsis thaliana. (2008) (99)
- 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)
- Polar intermolecular interactions encoded in partition coefficients: an indirect estimation of hydrogen-bond parameters of polyfunctional solutes (1992) (94)
- Physicochemical and Structural Properties of Non-Steroidal Anti-inflammatory Oxicams (1993) (94)
- Facilitated ion transfer reactions across oil|water interfaces: Part II. Use of the convoluted current for the calculation of the association constants and for an amperometric determination of the stoichiometry of MLjz+ complexes (1998) (93)
- Optimized liquid chromatography-mass spectrometry approach for the isolation of minor stress biomarkers in plant extracts and their identification by capillary nuclear magnetic resonance. (2008) (93)
- Ionic partition diagrams of ionisable drugs : pH-lipophilicity profiles, transfer mechanisms and charge effects on solvation (1999) (93)
- Electrochemical behaviour and antioxidant activity of some natural polyphenols (1996) (91)
- Molecular Factors Influencing Retention on Immobilized Artificial Membranes (IAM) Compared to Partitioning in Liposomes and n-Octanol (2002) (88)
- Determination of pKa values by capillary zone electrophoresis with a dynamic coating procedure. (2005) (84)
- Structure-Lipophilicity Relationships of Neutral and Protonated β-Blockers, Part I, Intra- and Intermolecular Effects in Isotropic Solvent Systems (1999) (81)
- Indole alkaloids of Psychotria as multifunctional cholinesterases and monoamine oxidases inhibitors. (2013) (79)
- High throughput UV method for the estimation of thermodynamic solubility and the determination of the solubility in biorelevant media. (2008) (79)
- 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)
- Structure-Based Design and Optimization of Multitarget-Directed 2H-Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases. (2015) (78)
- 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)
- Impact of species-dependent differences on screening, design, and development of MAO B inhibitors. (2006) (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)
- Xanthones from Gentianella amarella ssp. acuta with acetylcholinesterase and monoamine oxidase inhibitory activities. (2008) (73)
- Analytical tools for the physicochemical profiling of drug candidates to predict absorption/distribution (2009) (72)
- Lipophilicity and solvation of anionic drugs. (2002) (71)
- Charge and Delocalisation Effects on the Lipophilicity of Protonable Drugs (1999) (69)
- Inhibition of monoamine oxidase-B by condensed pyridazines and pyrimidines: effects of lipophilicity and structure-activity relationships. (1998) (69)
- Natural and synthetic geiparvarins are strong and selective MAO-B inhibitors. Synthesis and SAR studies. (2002) (69)
- Intermolecular Forces Expressed in 1,2-Dichloroethane/Water Partition Coefficients: A Solvatochromic Analysis (1997) (69)
- Facilitated Ion Transfer Reactions Across Oil/Water Interfaces. Part I: Algebraic Development and Calculation of Cyclic Voltammetry Experiments for Successive Complex Formation (1998) (68)
- Evaluation and Prediction of Drug Permeation (1999) (68)
- Pharmacokinetics of β-adrenoceptor blockers in obese and normal volunteers (1997) (66)
- A Comparison of the Solvation Properties of 2-Nitrophenyloctyl Ether, Nitrobenzene, and n-Octanol as Assessed by Ion Transfer Experiments (2004) (66)
- High resolution ultra high pressure liquid chromatography-time-of-flight mass spectrometry dereplication strategy for the metabolite profiling of Brazilian Lippia species. (2012) (65)
- Standard partition coefficients of anionic drugs in the n-octanol/water system determined by voltammetry at three-phase electrodes (2003) (64)
- QSAR analysis and molecular modeling of ABCG2-specific inhibitors. (2009) (63)
- Structural Properties Governing Retention Mechanisms on RP-HPLC Stationary Phases Used for Lipophilicity Measurements (1995) (63)
- A simple model to predict blood-brain barrier permeation from 3D molecular fields. (2002) (63)
- Physicochemical Characterization of Sildenafil: Ionization, Lipophilicity Behavior, and Ionic-Partition Diagram Studied by Two-Phase Titration and Electrochemistry (2000) (62)
- Rapid determination of pKa values of 20 amino acids by CZE with UV and capacitively coupled contactless conductivity detections (2007) (62)
- Ultra high pressure liquid chromatography for crude plant extract profiling. (2011) (62)
- Inhibition of monoamine oxidase-B by 5H-indeno[1,2-c]pyridazines: biological activities, quantitative structure-activity relationships (QSARs) and 3D-QSARs. (1995) (61)
- Quantitative Structure–Permeation Relationships for Solute Transport Across Silicone Membranes (2002) (61)
- Metabolite profiling of plant extracts by ultra-high-pressure liquid chromatography at elevated temperature coupled to time-of-flight mass spectrometry. (2009) (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)
- Quantitative structure-permeation relationship for iontophoretic transport across the skin. (2007) (58)
- NO-donor COX-2 inhibitors. New nitrooxy-substituted 1,5-diarylimidazoles endowed with COX-2 inhibitory and vasodilator properties. (2007) (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)
- An Efficient Synthesis of 2,3,5,6-Tetramethylidene-7-oxanorbornane† (1980) (51)
- Isolation and quantification by high-performance liquid chromatography-ion-trap mass spectrometry of androgen sulfoconjugates in human urine. (2008) (51)
- Inhibition of monoamine oxidase by isoquinoline derivatives. Qualitative and 3D-quantitative structure-activity relationships. (1995) (51)
- The MPTP story: MAO activates tetrahydropyridine derivatives to toxins causing parkinsonism. (1990) (50)
- Physicochemical Profiling of Sartans: A Detailed Study of Ionization Constants and Distribution Coefficients (2008) (47)
- Microscopic Protonation/Deprotonation Equilibria of the Anti‐Inflammatory Agent Piroxicam (1995) (46)
- Fast Determination of Lipophilicity by HPLC (2005) (46)
- Solute water interactions in the organic-phase of a biphasic system.1. Structural influence of organic solutes on the water-dragging effect (1993) (46)
- Development of a two-step screening ESI-TOF-MS method for rapid determination of significant stress-induced metabolome modifications in plant leaf extracts: the wound response in Arabidopsis thaliana as a case study. (2007) (45)
- Collateral sensitivity of resistant MRP1-overexpressing cells to flavonoids and derivatives through GSH efflux. (2014) (45)
- Trimetazidine reverses calcium accumulation and impairment of phosphorylation induced by cyclosporine A in isolated rat liver mitochondria. (1996) (45)
- Pattern recognition study of QSAR substituent descriptors (1989) (45)
- Cyclic voltammetry of highly hydrophilic ions at a supported liquid membrane (2002) (44)
- Structural properties governing retention mechanisms on immobilized artificial membrane (IAM) HPLC columns (2002) (44)
- 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)
- 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 Apparent Lipophilicity of Quaternary Ammonium Ions Is Influenced by Galvani Potential Difference, Not Ion-Pairing: A Cyclic Voltammetry Study (2001) (42)
- Retention time prediction for dereplication of natural products (CxHyOz) in LC-MS metabolite profiling. (2014) (41)
- Lipophilicity Behaviour of the Zwitterionic Antihistamine Cetirizine in Phosphatidylcholine Liposomes/Water Systems (2001) (41)
- Study of Leaf Metabolome Modifications Induced by UV-C Radiations in Representative Vitis, Cissus and Cannabis Species by LC-MS Based Metabolomics and Antioxidant Assays (2014) (41)
- Non-planarity of pi-systems in 5,6-bis(methylene)-7-oxanorborn-2-ene (1981) (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)
- Computational Approaches to Lipophilicity: Methods and Applications (2007) (40)
- Molecular electrostatic potentials for characterizing drug-biosystem interactions. (1991) (39)
- Large, chemically diverse dataset of logP measurements for benchmarking studies. (2013) (39)
- Theoretical and Experimental Exploration of the Lipophilicity of Zwitterionic Drugs in the 1,2-Dichloroethane/Water System (2002) (39)
- Mechanism and dynamics of methyl and ethyl orange transfer across the water/1,2-dichloroethane interface (1998) (38)
- Structure–lipophilicity relationships of zwitterionic amino acids (1991) (38)
- Fluoride curcumin derivatives: new mitochondrial uncoupling agents (2004) (37)
- Structure-genotoxicity relationships of allylbenzenes and propenylbenzenes: a quantum chemical study. (1994) (37)
- Water-Oil Partition Profiling of Ionized Drug Molecules Using Cyclic Voltammetry and a 96-Well Microfilter Plate System (2003) (37)
- Olive phenols efficiently inhibit the oxidation of serum albumin-bound linoleic acid and butyrylcholine esterase. (2009) (37)
- Breast cancer resistance protein (BCRP/ABCG2): new inhibitors and QSAR studies by a 3D linear solvation energy approach. (2009) (37)
- Improvement of a capillary electrophoresis/frontal analysis (CE/FA) method for determining binding constants: discussion on relevant parameters. (2010) (37)
- Regioselective Additions of Electrophiles to Olefins Remotely Perturbed - the Carbonyl Group as a Homoconjugated Electron Donating Substituent (1982) (37)
- Development of molecular hydrogen-bonding potentials (MHBPs) and their application to structure-permeation relations. (2001) (37)
- Iron and Molybdenum Carbonyls of 5,6-Dimethylene-7-Oxabicyclo[2.2.1]Hept-2-Ene - Crystal and Molecular-Structure of (C8H8O)Fe2(Co)7 (1978) (37)
- Effects of isoquinoline derivatives structurally related to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) on mitochondrial respiration. (1996) (36)
- Targeting the multidrug ABCG2 transporter with flavonoidic inhibitors: in vitro optimization and in vivo validation. (2011) (36)
- Site of Protonation and Conformational Effects on Gas-Phase Basicity in Beta-Amino Alcohols - the Nature of Internal H-Bonding in Beta-Hydroxy Ammonium-Ions (1983) (36)
- How the flexibility of human histone deacetylases influences ligand binding: an overview. (2015) (36)
- Pharmacokinetics of beta-adrenoceptor blockers in obese and normal volunteers. (1997) (36)
- 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)
- Cyclic voltammetry for the transfer of multiple charged ions at large ITIES: General computational methodology and application to simple and facilitated ion transfer reactions (1997) (35)
- Fast log P determination by ultra-high-pressure liquid chromatography coupled with UV and mass spectrometry detections (2009) (35)
- Aurones as histone deacetylase inhibitors: identification of key features. (2014) (35)
- Enantiomeric resolution of sulfoxides on a DACH-DNB chiral stationary phase: A quantitative structure-enantioselective retention relationship (QSERR) study (1993) (35)
- Multivariate data analysis of rapid LC-TOF/MS experiments from Arabidopsis thaliana stressed by wounding (2007) (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)
- Antioxidant C-glucosylxanthones from the leaves of Arrabidaea patellifera. (2008) (35)
- Characterization of drug–protein interactions by capillary electrophoresis hyphenated to mass spectrometry (2012) (35)
- Ionic Partition Diagram of the Zwitterionic Antihistamine Cetirizine (2001) (34)
- High performance affinity chromatography (HPAC) as a high-throughput screening tool in drug discovery to study drug-plasma protein interactions. (2013) (34)
- Edaravone derivatives containing NO-donor functions. (2009) (34)
- Global analytical strategy to measure drug-plasma protein interactions: from high-throughput to in-depth analysis. (2013) (34)
- Indole alkaloids and semisynthetic indole derivatives as multifunctional scaffolds aiming the inhibition of enzymes related to neurodegenerative diseases--a focus on Psychotria L. Genus. (2014) (34)
- Intramolecular Interactions Encoded in Lipophilicity: Their Nature and Significance (2008) (34)
- High-throughput log P determination by ultraperformance liquid chromatography: a convenient tool for medicinal chemists. (2008) (33)
- Methodologies to Assess Drug Permeation Through the Blood–Brain Barrier for Pharmaceutical Research (2013) (33)
- Transfer Mechanism of Ionic Drugs: Piroxicam as an agent facilitating proton transfer (1996) (33)
- Structure-permeation relationships for the non-invasive transdermal delivery of cationic peptides by iontophoresis. (2006) (33)
- Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. (2013) (33)
- Similarities of pharmacophoric patterns revealed by the MEP of metoclopramide, molindone and piquindone, a subgroup of dopamine D-2 receptor antagonists (1986) (32)
- Ferulenol specifically inhibits succinate ubiquinone reductase at the level of the ubiquinone cycle. (2007) (31)
- Molecular Docking Using the Molecular Lipophilicity Potential as Hydrophobic Descriptor: Impact on GOLD Docking Performance (2012) (31)
- Mechanisms of Liposomes/Water Partitioning of (p-Methylbenzyl)alkylamines (1998) (31)
- Solvatochromic Analysis of the Retention Mechanism of two Novel Stationary Phases Used for Measuring Lipophilicity by RP-HPLC (1992) (30)
- Prediction of the Passive Intestinal Absorption of Medicinal Plant Extract Constituents with the Parallel Artificial Membrane Permeability Assay (PAMPA) (2016) (30)
- A 3D linear solvation energy model to quantify the affinity of flavonoid derivatives toward P-glycoprotein. (2009) (30)
- Stereoselective Inhibition of the hERG1 Potassium Channel (2010) (29)
- In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities. (2007) (29)
- The carbonyl group as homoconjugated electron donating substituent. Ab initio STO 3G MO calculations (1984) (29)
- Experimental and Abinitio Molecular-Orbital Studies on Collisions of Ch4+. and Ch5+ with Molecular-Oxygen - on the Formation of Methane (Ch4(2+)) and Methonium (Ch5(2+)) Dications and Stable Chn-Species (N = 0-3) (1985) (29)
- Toxicity to PC12 cells of isoquinoline derivatives structurally related to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (1996) (29)
- Interaction between Non-Conjugated Chromophores .14. Regioselectivity of the Diels-Alder Additions of 2-Substituted 5,6-Dimethylidenenorbornanes and Dimethylidenebicyclo[2.2.2]Octanes (1982) (29)
- A Rational Approach for the Identification of Non-Hydroxamate HDAC6-Selective Inhibitors (2016) (29)
- Analysis of basic compounds at high pH values by reversed-phase liquid chromatography. (2004) (29)
- Inhibition of alpha-ketoglutarate dehydrogenase by isoquinoline derivatives structurally related to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP). (1995) (28)
- Characterization of chromatographic supports for the analysis of basic compounds (2002) (28)
- High‐throughput log P determination by MEEKC coupled with UV and MS detections (2010) (28)
- Non-specific SIRT inhibition as a mechanism for the cytotoxicity of ginkgolic acids and urushiols. (2014) (28)
- The permeability P-glycoprotein: a focus on enantioselectivity and brain distribution (2010) (28)
- Lipophilicity Determination of Highly Lipophilic Compounds by Liquid Chromatography (2009) (27)
- Human sirtuins: Structures and flexibility. (2016) (27)
- Standard machine learning algorithms applied to UPLC-TOF/MS metabolic fingerprinting for the discovery of wound biomarkers in Arabidopsis thaliana (2010) (27)
- The pH-Partition Profile of the Anti-Ischemic Drug Trimetazidine May Explain Its Reduction of Intracellular Acidosis (1999) (26)
- Kinetics and Mechanisms of Racemization: 5-Substituted Hydantoins (= Imidazolidine-2,4-diones) as Models of Chiral Drugs (1996) (26)
- Lipophilicity of basic drugs measured by hydrophilic interaction chromatography. (2009) (26)
- Stereoselectivity of the Radical Reductive Alkylation of Enamines: Importance of the Allylic 1,3‐Strain Model (1993) (26)
- Novel RPLC stationary phases for lipophilicity measurement: solvatochromic analysis of retention mechanisms for neutral and basic compounds. (2005) (26)
- The Non‐planarity of the Bicyclo[2.2.1]hept‐2‐ene Double bond. Crystal Structures of Bicyclo[2.2.2]oct‐2‐ene, Bicyclo[2.2.1]hept‐2‐ene, and Bicyclo[2.1.1]hex‐2‐ene Systems (1984) (26)
- A systems approach to molecular structure, intermolecular recognition, and emergence‐dissolvence in medicinal research (1997) (26)
- Anti-inflammatory, antimicrobial and antioxidant activities of Diospyros bipindensis (Gürke) extracts and its main constituents. (2013) (25)
- Pharmacophore‐based discovery of inhibitors of a novel drug/proton antiporter in human brain endothelial hCMEC/D3 cell line (2015) (25)
- Protein Protection by Antioxidants: Development of a Convenient Assay and Structure-Activity Relationships of Natural Polyphenols (2002) (25)
- Antifungals and acetylcholinesterase inhibitors from the stem bark of Croton heliotropiifolius (2014) (25)
- Solvatochromic analysis of di-n-butyl ether/water partition coefficients as compared to other solvent systems (1997) (25)
- Quantitative structure-metabolism relationship analyses of MAO-mediated toxication of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine and analogues. (1992) (25)
- Molecular Ions of Transient Species: Vinyl-Alcohol Cation (1984) (24)
- Monoamine oxidase inhibitory properties of some benzazoles: Structure-; Activity relationships (1999) (24)
- Immobilized pH gradient gel cell to study the pH dependence of drug lipophilicity. (2006) (24)
- A cellular automata model of diffusion in aqueous systems. (1997) (24)
- Computational Studies on Sirtuins from Trypanosoma cruzi: Structures, Conformations and Interactions with Phytochemicals (2014) (24)
- Inhibition screening method of microsomal UGTs using the cocktail approach. (2015) (24)
- Solvatochromic Analysis of Partition Coefficients in the o-Nitrophenyl Octyl Ether (o-NPOE)/Water System (2003) (24)
- 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)
- Antioxidant phenylethanoid glycosides and a neolignan from Jacaranda caucana. (2009) (23)
- The relative partitioning of neutral and ionised compounds in sodium dodecyl sulfate micelles measured by micellar electrokinetic capillary chromatography. (2002) (23)
- The carbonyl group as homoconjugated electron-releasing substituent. Regioselective electrophilic additions at bicyclo[2.2.1]hept-5-en-2-one, bicyclo[2.2.2]oct-5-en-2-one, and derivatives (1989) (23)
- Double bond pyramidalization in bicyclic alkanes. Ab initio mo calculations on bicyclo[2.2.1] hept-2-ene, bicyclo[2.2.1] hex-2-ene and bicyclo[3.2.1] oct-6-ene derivatives (1985) (23)
- Structure-Lipophilicity and Structure-Polarity Relationships of Amino-Acids and Peptides (1995) (23)
- Molecular electrostatic potential of orthopramides: implications for their interaction with the D-2 dopamine receptor. (1986) (23)
- Noncovalent PEGylation: different effects of dansyl-, L-tryptophan-, phenylbutylamino-, benzyl- and cholesteryl-PEGs on the aggregation of salmon calcitonin and lysozyme. (2012) (23)
- Novel screening assay for antioxidant protection against peroxyl radical-induced loss of protein function. (2007) (22)
- A new, doubly convergent synthesis of anthracyclinones. Diels-alder additions to 2,3,5,6-tetrakis(methylene)-7-oxanorbornane. (1979) (22)
- Intramolecular Diels-Alder Reactions of 3h-Pyrroles Resulting from the Thermal Rearrangements of 2h-Pyrroles (1987) (22)
- O-17 Nuclear Magnetic-Resonance - the Effects of Remote Unsaturation on O-17-Chemical Shifts in Polycyclic Ethers (1980) (22)
- Hyperconjugative Interactions in Bicyclo[2.2.1)Heptane Derivatives - Effects on Diels-Alder Reactivity of S-Cis-Butadiene Group of 2,3-Dimethylidene-Norbornanes (1976) (21)
- Advances in LC platforms for drug discovery (2010) (21)
- Nigral cell loss produced by infusion of isoquinoline derivatives structurally related to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine. (1996) (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)
- Toxication of MPTP (1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine) and analogs by monoamine oxidase. A structure-reactivity relationship study. (1990) (20)
- Low configurational stability of amfepramone and cathinone: Mechanism and kinetics of chiral inversion (1995) (20)
- π-Facial diastereoselection in [4+2]-cycloadditions of 3,4- epoxy-2-methyleneoxolanes with oxadienes: A short synthesis of spiroketals. (1994) (20)
- Modeling the Met Form of Human Tyrosinase: A Refined and Hydrated Pocket for Antagonist Design (2014) (20)
- Partition coefficients of ionizable compounds in o-nitrophenyl octyl ether/water measured by the potentiometric method. (2003) (20)
- Clinical pharmacology of oxicams: new insights into the mechanisms of their dose-dependent toxicity. (1993) (20)
- Chromatographic Approaches for Measuring Log P (2007) (20)
- 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)
- Predicting both passive intestinal absorption and the dissociation constant toward albumin using the PAMPA technique. (2014) (19)
- How do antibodies and lectins recognize histo-blood group antigens? A 3D-QSAR study by comparative molecular field analysis (CoMFA). (1996) (18)
- Theoretical Parameters to Characterize Antioxidants. Part 2. The cases of melatonin and carvedilol (1998) (18)
- Knowledge-based modeling of a legume lectin and docking of the carbohydrate ligand: the Ulex europaeus lectin I and its interaction with fucose. (1996) (17)
- Stereochemical study of the allylation of 1-phenylsulfinylethyl and 1-phenylsulfinyl-2,2,2-trifluoroethyl radicals (1994) (17)
- Influence of Lipophilicity and Chirality on the Selectivity of Ligands for β1‐ and β2‐Adrenoceptors (1988) (17)
- Interaction between Exocyclic s-cis-Butadiene and Homoconjugated Functions. Preparation and Diels-Alder Reactivity of Remotely Substituted 2,3-Dimethylidenebicyclo[2.2.2]octanes† (1982) (17)
- Abinitio Mo calculations on the rearrangements of 7-Oxa-2-Bicyclo[2.2.1]Heptyl cations - the facile migration of acyl group in Wagner-Meerwein rearrangements (1988) (17)
- Biarylmethoxy isonipecotanilides as potent and selective inhibitors of blood coagulation factor Xa. (2011) (17)
- Physicochemical properties and transport behaviour of piribedil: Considerations on its membrane-crossing potential (1992) (17)
- Inhibition of &agr;‐Ketoglutarate dehydrogenase by isoquinoline derivatives structurally related to 1 ‐methyl‐4‐phenyl‐1,2,3,6‐tetrahydropyridine (MPTP) (1995) (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)
- Recognition forces involved in mitochondrial binding to a low-affinity trimetazidine binding site related to anti-ischemic activity. (2002) (16)
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- IRON AND MOLYBDENUM CARBONYLS OF 5,6-DIMETHYLENE-7-OXABICYCLO(2.2.1)HEPT-2-ENE. CRYSTAL AND MOLECULAR STRUCTURE OF (C8H8O)FE2(CO)7 (1978) (0)
- Cycloadditions of enones (2010) (0)
- Partitioning behaviour of piracetam-type cognition enhancers (1993) (0)
- Additions et corrections : structure genotoxicity relationships of allylbenzenes and propenylbenzenes - A quantum-chemical Study (1995) (0)
- Stabilization of the hydrophilic sphere of iobitridol. (2003) (0)
- Interactions Between Non-Conjugated Chromophores. Part 28. Regioselective Electrophilic Additions of Bicyclo(2.2.n)alk-2-enes Controlled by Remote Epoxide Functions. (1988) (0)
- 1H-NMR Spectra of Cyclohexa-1,4-dienes and Cyclohexenes Annellated to Bicyclo[2.2.1]hept-2-enes. (1986) (0)
- REGIOSELECTIVITY OF THE DIELS-ALDER CYCLOADDITIONS OF 2-SUBSTITUTED 5,6-BIS(METHYLENE)-NORBORNANES (1979) (0)
- SITE OF PROTONATION AND CONFORMATIONAL EFFECTS ON GAS‐PHASE BASICITY IN β‐AMINO ALCOHOLS. THE NATURE OF INTERNAL HYDROGEN BONDING IN β‐HYDROXY AMMONIUM IONS (1983) (0)
- Ionization Behavior and Ionization-Dependent Conformation of Raclopride, a Dopamine D2 Receptor Antagonist. (2010) (0)
- Stereoselectivity of the Radical Reductive Alkylation of Enamines: Importance of the Allylic 1,3‐Strain Model. (1994) (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)
- Face Selectivity in the Diels‐Alder Additions and Chelotropic Addition of Sulfur Dioxide to 2‐(D)Methylidene‐3‐methylidenebicyclo[2.2.1]heptane. (1985) (0)
- Circular Dichroism of 5,6‐Dimethylidene‐2‐bicyclo[ 5,6‐Dimethylidene‐2‐bicyclo| 5,6‐Dimethylidene‐2‐bicyclo|2.2.n|aIkyl | 5,6‐Dimethylidene‐2‐bicyclo|2.2.n|aIkyl ]alkyl Esters. Chiral Exciton Coupling Between Benzoate and Exocyclic s‐cis‐Butadiene Chromophores. (1984) (0)
- A Systems Approach to Molecular Structure, Intermolecular Recognition, and Emergence-Dissolvence in Medicinal Research (2010) (0)
- The Carbonyl Group as Homoconjugated Electron-Releasing Substituent. Regioselective Electrophilic Additions at Bicyclo(2.2.1)hept-5-en-2-one, Bicyclo(2.2.2)oct-5-en-2-one, and Derivatives. (1989) (0)
- Dynamic Modeling of Diels-Alder Reaction Using Computer-Graphics (1987) (0)
- THE CARBONYL GROUP AS A HOMOCONJUGATED ELECTRON-DONATING SUBSTITUENT. AB INITIO STO 3G MO CALCULATIONS (1984) (0)
- The School of Pharmacy Geneva-Lausanne (EPGL) - the first ten years. (2012) (0)
- Origin of the Stereoselectivity in (Ethoxycarbonyl)‐, Cyano‐, and Phenyl‐Substituted (Arylsulfinyl)methyl Radicals. (1998) (0)
- HDAC6 as a target for neurodegenerative diseases: what makes it different from the other HDACs? (2013) (0)
- MOLECULAR IONS OF TRANSIENT SPECIES: VINYLAMINE CATION (1984) (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)
- Synthesis and Circular Dichroism of 5- and 6-Halobicyclo(2.2.1)hept-5-en-2-ones: Tests for Dekker′s Quantitative Chirality Rule. (1988) (0)
- Synthesis and Pharmacochemical Investigation of Some New Arylethanolamines as α3‐Adrenoceptor Ligands (1998) (0)
- [Molecular lipophilicity potential (MLP) in drug design. Complementing theoretical tools with experimental results]. (1996) (0)
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