Pierre‐alain Carrupt

Pierre‐alain Carrupt's AcademicInfluence.com Rankings

Chemistry

#4355

World Rank

#5428

Historical Rank

Quantum Chemistry

#60

World Rank

#60

Historical Rank

Physical Chemistry

#656

World Rank

#709

Historical Rank

chemistry Degrees

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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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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)
Lipophilicity Profiles of Ampholytes (1998) (15)
Regioselectivity of 1,3-Dipolar Cycloadditions Controlled by Remote Substitution and Lewis Acid Catalysts (1986) (15)
Intrinsic and intramolecular lipophilicity effects in O-glucuronides (1998) (15)
Through-Bond Interactions of Beta-Carbonyl and Beta-Imine Lone Pairs with Cationic 2p Orbital - Quantum Calculations on Bicyclo[2.2.2]Oct-1-Yl Cation and Derivatives (1990) (15)
Study of intramolecular hydrogen bonding in o‐anisic acid and o‐anisamide by 17O NMR and Ab initio MO calculations (1988) (15)
Electrochemical Behavior and Antioxidant Activity of Some Natural Polyphenols. (1996) (15)
Charge-transfer bands of bicyclic β,γ-unsaturated ketones. Circular dichroism of (+)-(1R)-5,6-dimethylidene-2-bicyclo[2.2.2]octanone and (+)-(1R)-2-bicyclo[2.2.2]oct-5-enone (1981) (15)
The Origin of the Difference Between the 13C and 17O Shift Behaviour of Carbonyl Compounds RCOX: Ab initio Calculation of the Shielding Tensors (1997) (15)
Ionization and Partitioning Profiles of Zwitterions: The case of the anti‐inflammatory drug azapropazone (1996) (15)
Lipophilicity Behavior of Model and Medicinal Compounds Containing a Sulfide, Sulfoxide, or Sulfone Moiety. (1997) (15)
Interaction of psychotropic drugs with monoamine oxidase in rat brain (2001) (15)
A fast screening strategy for characterizing peptide delivery by transdermal iontophoresis. (2009) (15)
Mechanism of ligand binding to alpha 1-acid glycoprotein (orosomucoid): correlated thermodynamic factors and molecular parameters of polarity. (1995) (15)
A cellular automata model of the hydrophobic effect. (1995) (15)
Immobilized Artificial Membrane HPLC in Drug Research (2003) (14)
Zebrafish bioassay-guided isolation of antiseizure compounds from the Cameroonian medicinal plant Cyperus articulatus L. (2020) (14)
Face Selectivity in the Diels-Alder Additions and Chelotropic Addition of Sulfur-Dioxide to 2-(D)Methylidene-3-Methylidenebicyclo[2.2.1]Heptane (1985) (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)
Isolation and biological activity of compounds from Garcinia preussii (2014) (14)
Conformation, electrostatic potential and pharmacophoric pattern of orthopramides and other dopamine receptor antagonists (1986) (14)
The PAMPA technique as a HTS tool for partition coefficients determination in different solvent/water systems. (2008) (14)
Unsymmetrical binding modes of the HOPNO inhibitor of tyrosinase: from model complexes to the enzyme. (2013) (14)
Interactions between Oxygen Lone-Pair Orbitals and Double-Bond Pi-Orbitals in Beta,Gamma-Unsaturated, Bicyclic Ketones - a Pe-Spectroscopic Investigation (1987) (14)
NO‐donor melatonin derivatives: synthesis and in vitro pharmacological characterization (2007) (13)
Origin of the stereoselectivity in (ethoxycarbonyl)-, cyano-, and phenyl-substituted (arylsulfinyl)methyl radicals (1998) (13)
Molecular Ions of Transient Species: Vinylamine‐Cation (1984) (13)
1H-NMR Spectra of Cyclohexa-1,4-dienes and Cyclohexenes Annellated to Bicyclo[2.2.1]hept-2-enes. The Inter-Ring Homoallylic H,H Coupling Constants as Stereochemical Probes† (1985) (13)
Diastereoselective radical alkylations of alkyl aryl sulfoxides (1996) (13)
Lipophilicity and Related Molecular Properties as Determinants of Pharmacokinetic Behaviour (2000) (13)
8-Substituted Xanthines As Phosphodiesterase Inhibitors - Conformation-Dependent Lipophilicity and Structure-Activity-Relationships (1989) (13)
Effects of solvation on the ionization and conformation of raclopride and other antidopaminergic 6-methoxysalicylamides: insight into the pharmacophore (1993) (13)
MLP Tools: a PyMOL plugin for using the molecular lipophilicity potential in computer-aided drug design (2014) (13)
Experimental and virtual physicochemical and pharmacokinetic profiling of new chemical entities (2005) (13)
Stereoelectronic study of zetidoline, a dopamine D2 receptor antagonist. (1989) (13)
Regioselective electrophilic additions of bicyclo[2.2.n]alk-2-enes controlled by remote epoxide functions (1987) (12)
Identification of novel multifunctional compounds for the treatment of some aging related neurodegenerative diseases (2005) (12)
HDM‐PAMPA to predict gastrointestinal absorption, binding percentage, equilibrium and kinetics constants with human serum albumin and using 2 end‐point measurements (2017) (12)
Synthesis and Diels-Alder Reactivity of 7-Isopropylidene-2,3,5,6-Tetramethylenebicyclo-[2.2.1]Heptane (7,7-Dimethyl[2.2.1]Hericene) (1982) (12)
Isotope effects on the lipophilicity of deuterated caffeines (1989) (12)
Block of the hERG channel by bupivacaine: Electrophysiological and modeling insights towards stereochemical optimization. (2011) (12)
A Cellular Automata Model of Micelle Formation (1996) (12)
Drug Racemization and Its Significance in Pharmaceutical Research (2003) (12)
Structural insights of SIR2rp3 proteins as promising biotargets to fight against Chagas disease and leishmaniasis. (2013) (12)
Novel Basic Isoflavones as Inhibitors of Bone Resorption (2001) (11)
cIEF for rapid pKa determination of small molecules: a proof of concept. (2014) (11)
Modification of a PAMPA model to predict passive gastrointestinal absorption and plasma protein binding. (2015) (11)
HYPERCONJUGATIVE INTERACTIONS IN BICYCLO(2.2.1)HEPTANE DERIVATIVES. EFFECTS ON THE DIELS-ALDER REACTIVITY OF THE S-CIS-BUTADIENE GROUP O 2,3-DIMETHYLIDENENORBORNANES (1976) (11)
The Lipophilicity Behavior of Three Catechol-O-methyltransferase (COMT) Inhibitors and Simple Analogues (2006) (11)
Optical biosensor analysis in studying new synthesized bicalutamide analogs binding to androgen receptor. (2014) (11)
Quantitative Structure‐Affinity Relationships of Dopamine D2 Receptor Antagonists: A Comparison between Orthopramides and 6‐Methoxysalicylamides (1991) (11)
Alkaloids from Psychotria Target Sirtuins: In Silico and In Vitro Interaction Studies (2014) (10)
5-Benzylidene-hydantoin is a new scaffold for SIRT inhibition: From virtual screening to activity assays. (2016) (10)
Comparison of various silica-based monoliths for the analysis of large biomolecules. (2013) (10)
Experimental and Theoretical-Studies on the Homoconjugation in Bicyclic Carbenium and Oxonium Ions in the Gas-Phase (1986) (10)
Alkaloids as Inhibitors of Monoamine Oxidases and Their Role in the Central Nervous System (2014) (10)
Insight into the Lipophilicity of the Aromatic N-Oxide Moiety (1996) (10)
How to increase the safety and efficacy of compounds against neurodegeneration? A multifunctional approach. (2012) (10)
A systems approach to molecular structure, intermolecular recognition, and emergence-dissolvence in medicinal research. (1997) (10)
Development of a capillary electrophoresis method to monitor protein oxidation and antioxidant protection (1999) (10)
Electronic and Conformational Effects on the Lipophilicity of Isomers and Analogs of the Neurotoxin 1‐Methyl‐4‐phenylpyridinium (MPP+) (1991) (10)
Structure-affinity relationships of baclofen and 3-heteroaromatic analogues. (1995) (9)
Development of an in Vitro Rat Intestine Segmental Perfusion Model to Investigate Permeability and Predict Oral Fraction Absorbed (2006) (9)
A model for the stereoselectivity of radical mediated reductive alkylation of acyclic enamines (1992) (9)
Structure‐Property Relationships in the Basicity and Lipophilicity of Arylalkylamine Oxides (1999) (9)
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)
Molecular dynamics of zinc-finger ubiquitin binding domains: a comparative study of histone deacetylase 6 and ubiquitin-specific protease 5 (2016) (8)
Interaction between oxygen lone-pair orbitals of ether and α,β-unsaturated ketone functions in 3,5,6-trimethylidene-7-oxabicyclo[2.2.1]heptan-2-one and 3,6-dimethylidene-7-oxabicyclo[2.2.1]heptane-2,5-dione : a PE-spectroscopic investigation (1990) (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 continuous fluorimetric method to monitor the enzymatic hydrolysis of medicinal esters. (1996) (8)
Determination of alkane/water partition coefficients of polar compounds using hydrophilic interaction chromatography. (2012) (8)
Multivariate data modeling of new steric, topological and CoMFA-derived substituent parameters (1993) (7)
Molecular modeling of hen egg lysozyme HEL[52-61] peptide binding to I-Ak MHC class II molecule. (1998) (7)
Dynamic Representation of Quantum Chemical Results Using Computer-Graphics - Molecular-Rearrangements, Art or Science (1983) (7)
Effects of solvation on the ionization and conformation of raclopride and other antidopaminergic 6-methoxysalicylamides: insight into the pharmacophore. (1993) (7)
New high throughput screening method for drug release measurements. (2013) (7)
Stabilization of the Hydrophilic Sphere of lobitridol, an lodinated Contrast Agent, as Revealed by Experimental and Computational Investigations (1995) (7)
Solvent-dependent lipophilicity and hydrogen-bonding capacity of 2-pyridylalkanols (1989) (7)
Stereoselective Control in the Base-Catalyzed H/D Exchange of 5,6-Dimethylidene-2-Bicyclo[2.2.N]Alkanone Tricarbonyliron Complexes - Revision of the Structures of Tricarbonyliron Complexes of 5,6-Dimethylidenebicyclo[2.2.2]Oct-2-Ene and 5,6-Dimethylidenebicyclo[2.2.1]Hept-2-Ene (1984) (7)
Chemo- and stereoselective functionalization of 7-oxabicyclo[2.2.1]hept-5-en-2-one with dichloroketene (1986) (7)
SYNTHESIS AND DIELS-ALDER REACTIVITY OF 7-ISOPROPYLIDENE-2,3,5,6-TETRAKIS(METHYLENE)BICYCLO(2.2.1)HEPTANE (7,7-DIMETHYL(2.2.1)HERICENE) (1983) (7)
Pargyline Analogues as Potent, Non‐selective Monoamine Oxidase Inhibitors (1998) (7)
Synthesis physicochemical profile and PAMPA study of new NO-donor edaravone co-drugs. (2012) (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)
Interactions between Homoconjugated Diene and Epoxide Functions - Effect on Diels-Alder Regioselectivity (1983) (6)
Limits of rapid log P determination methods for highly lipophilic and flexible compounds. (2016) (6)
The optical resolution of bicyclo[2.2.1]Hept-5-Ene-2-cyanohydrins using brucine : a crystallographic and molecular-mechanics study (1993) (5)
A Cellular Automata Model of the Hydrophobia Effect (1995) (5)
In vitro blood brain barrier models as a screening tool for colloidal drug delivery systems and other nanosystems (2010) (5)
Structure–Antioxidant Activity Relationships in a Series of NO‐Donor Phenols (2008) (5)
Synthesis of Optically Pure Tricarbonyliron Complexes of 5,6‐Dimethylidenebicyclo[2.2.2.]oct‐2‐yl derivatives. Crystal structure and absolute configuration of (+)‐tricarbonyl(1S,2S,4R,5R,6S)‐C,5,6,C,‐η‐(5,6‐dimethylidenebicyclo[2.2.2]oct‐2‐yl p‐bromobenzoate)iron (1988) (5)
The influence of aromatic substituents on the binding of substituted benzamides to dopamine D‐2 receptors: congruent QSAR and MEP analyses (1987) (5)
The influence of hydration and structure-promoting effects on the viscosity of binary solvent mixtures (1988) (5)
An effective tool for column evaluation in the analysis of basic compounds (2003) (5)
The Circular-Dichroism of 5,6-Dimethylidene-2-Bicyclo[2.2.N]Alkyl Esters - Chiral Exciton Coupling Between Benzoate and Exocyclic S-Cis-Butadiene Chromophores (1984) (4)
Circular Dichroism of Planar, Exocyclic S‐cis‐Butadienes Remotely Perturbed (1988) (4)
Use of molecular lipophilicity potential for the prediction of log P (1994) (4)
NMR of terminal oxygen. 15 17O NMR spectra of the N+O− group: tert‐Amine oxides R3N+O−, nitrones HC  N+(O−), azoxy derivatives N  N+(O−), nitrile oxides  C  N+O− and related compounds. Shielding anisotropy in linear heteroatomar π‐systems (1995) (4)
Covalent modifications of antitetanus F(ab')2 fragments with natural and synthetic polyamines and their effects on the antibody endocytosis in cultured HL60 cells. (2008) (4)
Physicochemical and Structural Properties of Non-Steroidal Antiinflammatory Oxicams. (1993) (4)
In silico tools and in vitro HTS approaches to determine lipophilicity during the drug discovery process (2009) (4)
A study of interlaboratory influence on column evaluation. (2005) (4)
Structure-Lipophilicity Relationships of Zwitterionic Amino Acids. (1992) (4)
Influence of stereochemical factors on the partition coefficient of diastereoisomers in a biphasic octan-1 ol-water system (1993) (4)
D-LogP: an alignment-free 3D description of local lipophilicity for QSAR studies. (2004) (3)
[Chirality and drugs]. (2000) (3)
The lipophilicity behaviour of COMT inhibitors (2002) (3)
Conformational analysis of α-methoxyketones. A photoelectron spectroscopic investigation of 3-methoxybicyclo[2.2.1]heptan-2-ones. (1992) (3)
Centrifugal Partition Chromatography for Lipophilicity Measurements (2008) (3)
Normal phase HPLC-based activity profiling of non-polar crude plant extracts – acetylcholinesterase inhibiting guttiferones from Montrouziera cauliflora as a case study (2016) (3)
Chapter 8:UHPLC for the Determination of Physicochemical Parameters in Drug Discovery (2012) (3)
Synthesis, biological activity and molecular modelling of the 53-54 ketomethylene analogue of HEL(52-61) (1998) (3)
VolSurf and Its Application in Structure‐Disposition Relationships (2007) (3)
The Hydrogen Bonding of Drugs: Its Experimental Determination and Role in Pharmacokinetics and Pharmacodynamics (1992) (3)
Numerical simulation of two-phase partition chromatography in microchannels for moderated log P measurements. (2005) (3)
Establishment of a Human 3D Tissue-Based Assay for Upper Respiratory Tract Absorption (2018) (3)
The medicinal chemist's dream: Faster design of better and safer drug candidates (2005) (3)
Influence of lipophilicity and stereochemistry at the C7 position on the cardioprotective and antioxidant effect of ginkgolides during rat heart ischemia and reperfusion (2005) (3)
Synthesis and Circular-Dichroism of 5-Halogenobicyclo[2.2.1]Hept-5-En-2-Ones and 6-Halogenobicyclo[2.2.1]Hept-5-En-2-Ones - Tests for the Dekkers Quantitative Chirality Rule (1988) (2)
NMR of Terminal Oxygen—17—Ab initio IGLO Study of the High Shielding of O (and C, N) in Linear Heteronuclear π‐Systems (1996) (2)
Stereoselective block of hERG channel by bupivacaine scrutinized at molecular level. (2010) (2)
Regioselectivity of the diels-alder cycloadditions of 2-substituted 5,6-bis(methylene)-norbornanes. (1978) (2)
Influence of lipophilicity and chirality on the selectivity of ligands for beta 1- and beta 2-adrenoceptors. (1988) (2)
Combination of LC retention, high resolution TOF-MS information and web database search as dereplication tools in a chemotaxonomic study of Lippia spp (2011) (2)
Dynamic modeling of chemical reactions: the Diels-Alder cycloaddition (1987) (2)
Passive Intestinal Absorption of Representative Plant Secondary Metabolites: A Physicochemical Study (2017) (2)
Rapid log P determination of natural products in crude plant extracts from UHPLC-TOF-MS profiling data – an additional parameter for dereplication and bioavailability (2009) (2)
Lipophilicity and hydrogen-bonding capacity : their role in drug-binding and disposition (1993) (2)
DESBASE, a multiparameter substituent database. (1989) (2)
The Hydrogen-Bond: computational approaches and applications to drug design. (2002) (2)
Hydration of substituted benzenes. Experimental studies and relationship with lipophilicity (1989) (2)
VolSurf and its interest in structure-disposition relations. (2001) (2)
Synergy at the 'Ecole de Pharmacie Geneve-Lausannel': Methodology developments for the treatment of complex metabolomic datasets with data mining (2005) (2)
Potential of UHPLC for crude plant extract analysis: profiling, dereplication and metabolomics (2010) (1)
NONPLANARITY OF Π SYSTEMS IN 5,6-BIS(METHYLENE)-7-OXANORBORN-2-ENE (1981) (1)
The Circular-Dichroism of 2,3-Dimethylidene-5-Norbornyl Derivatives (1983) (1)
Chirality in drug research - stereomania, stereophobia, or stereophilia (1993) (1)
High-throughput prediction of passive intestinal absorption of natural products and plant extracts with the PAMPA assay (2015) (1)
3D modelling of soybean glyoxysomal malate dehydrogenase (1993) (1)
Monoamine oxidase inhibitor properties of some benzazoles: structure-activity relationships. (1999) (1)
Molecular hydrogen-bonding potentials (MHBPs) in structure-permeation relations (2001) (1)
Multivariate data analyses of QSAR parameters. (1989) (1)
UPLC-TOF-MS for plant metabolomics. A powerful tool for discriminating stress states in plants and detecting low level wound-biomarkers (2008) (1)
Isotope Effects on Lipophilicity and Polarity (1988) (1)
bound linoleic acid and butyrylcholine esterase (2009) (1)
Stereoselective Block of hERG Channel by (S)-Methadone and QT Interval Prolongation in CYP2B6 Slow Metabolizer: Evidence of a Safer Cardiac Profile of (R)-Methadone (2008) (1)
Measurement of partition-coefficients using centrifugal partition chromatography : method development and application to the determination of solute structural-properties (1993) (1)
REGIOSELECTIVE ADDITIONS OF ELECTROPHILES TO OLEFINS REMOTELY PERTURBED. THE CARBONYL GROUP AS A HOMOCONJUGATED ELECTRON DONATING SUBSTITUENT (1982) (1)
The structure of the molecular ion of allyl bromide (1991) (1)
Physicochemical profile and in vitro permeation behavior of a new class of non-steroidal anti-inflammatory drug candidates. (2010) (1)
Lipophilicity and conformational behaviour of substituted xanthines. (1989) (1)
Three-dimensional and electronic analysis of Na+-dependent antidopaminergic agents: tropapride and zetidoline (1986) (1)
Natural products as inhibitors of purine nucleoside phosphorylase, a target against Plasmodium spp (2012) (1)
Inhibition of monoamine oxidase and acetylcholinesterase by Rhodiola rosea L (2008) (1)
Chemo‐ and Stereoselective Functionalization of 7‐Oxabicyclo(2.2.1)hept‐5‐en‐2‐one with Dichloroketene. (1987) (0)
MOLECULAR IONS OF TRANSIENT SPECIES: VINYL ALCOHOL CATION (1984) (0)
Highlights of Analytical Chemistry in Switzerland: Plant Metabolomics – Strategies for Biomarker Detection, Isolation, and Identification (2008) (0)
Interactions between Homoconjugated Diene and Epoxide Functions. Effect on Diels-Alder Regioselectivity. The Circular Dichroism of 2,3-Dimethylidene-5-norbornyl Derivatives. (1983) (0)
Interaction Between Non-Conjugated Chromophores. Part 29. Circular Dichroism of Planar, Exocyclic s-cis-Butadienes Remotely Perturbed (1988) (0)
CHARGE-TRANSFER BANDS OF BICYCLIC β,Γ-UNSATURATED KETONES. CIRCULAR DICHROISMS OF (+)-(1R)-5,6-DIMETHYLIDENE-2-BICYCLO(2.2.2)OCTANONE AN (+)-(1R)-2-BICYCLO(2.2.2)OCT-5-ENONE (1982) (0)
INTERACTION BETWEEN NONCONJUGATED CHROMOPHORES. 14. REGIOSELECTIVITY OF THE DIELS-ALDER ADDITIONS OF 2-SUBSTITUTED 5,6-DIMETHYLIDENENORBORNANES AND -BICYCLO(2.2.2)OCTANES (1982) (0)
Interaction Between Oxygen Lone-Pair Orbitals of Ether and α,β-Unsaturated Ketone Functions in 3,5,6-Trimethylidene-7-oxabicyclo(2.2.1)heptan-2-one and 3,6-Dimethylidene-7-oxabicyclo(2.2.1)heptane-2,5-dione: A PE-Spectroscopic Investi (1990) (0)
RADICAL CATION STATES OF 2,3,5,6‐TETRAMETHYLENENORBORNANE, 2,3,5,6‐TETRAMETHYLENEBICYCLO(2.2.2)OCTANE AND OF RELATED COMPOUNDS (1979) (0)
Intrinsic and Intramolecular Lipophilicity Effects in O‐Glucuronides. (1998) (0)
Conformational Analysis of α‐Methoxyketones. A Photoelectron Spectroscopic Investigation of 3‐Methoxybicyclo(2.2.1)heptan‐2‐ones (1992) (0)
Reversible inhibition of MAO-A and B by diazoheterocyclic compounds: Development of QSAR/CoMFA models (2000) (0)
Experimental and ab Initio MO Studies on Collisions of CH4+·and CH5+with Molecular Oxygen: On the Formation of Methane (CH42+) and Methonium (CH52+) Dications and Stable CHn-Species (n: 0-3) (1985) (0)
Quantitative Structure‐Affinity Relationships of Dopamine D2 Receptor Antagonists: A Comparison Between Orthopramides and 6‐ Methoxysalicylamides. (1991) (0)
Synthesis of Optically Pure Tricarbonyliron Complexes of 5,6‐Dimethylidenebicyclo(2.2.2)oct‐2‐yl Derivatives. Crystal Structure and Absolute Configuration of (+)‐Tricarbonyl((1S,2S,4R,5R,6S)‐C,5,6,C‐η‐(5,6‐dimethylidenebicyclo(2.2.2)# oct‐2‐yl p‐Bromobenzoate))iron. (1988) (0)
Radical Cation States of 2,3,5,6-Tetramethylenenorbornane, 2,3,5,6-Tetramethylenebicyclo[2.2.2]Octane and of Related Compounds (2010) (0)
Pyrimidalization of the Carbon-Atom of the Nitrogen-Carbon Double-Bond of 2-Azabicyclo[2.2.1]Hept-2-Enes - Radiocrystallographic Study and Calculations of Quantum-Mechanics (1986) (0)
Development of a human airway tissue-based assay for respiratory absorption giving input parameters for PBTK modelling (2015) (0)
Normal phase HPLC profiling of the acetylcholinesterase activity in apolar plant extracts (2012) (0)
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) (0)
Optical resolution of bicyclic cyanohydrins. The structure of the hydrogen-bonded brucine–cyanohydrin complex derived from (+)-norbornenone (1987) (0)
Diastereoselective Radical Alkylations of Alkyl Aryl Sulfoxides. (1997) (0)
Intramolecular Diels-Alder Reactions of 3H-Pyrroles Resulting from the Thermal Rearrangements of 2H-Pyrroles. (1988) (0)
Production and Characterization of 22 Monoclonal Antibodies Directed Against S 20499, a New Potent 5-HT1A Chiral Agonist: Influence of the Hapten Structure on Specificity and Stereorecognition (1999) (0)
Analytical Strategy to Characterize Drug–Plasma Interactions: From High Throughput to In-depth Analysis (2013) (0)
Stereochemical Study of the Allylation of 1-Phenylsulfinylethyl and 1- Phenylsulfinyl-2,2,2-trifluoroethyl Radicals. (1994) (0)
INTERACTIONS BETWEEN NONCONJUGATED CHROMOPHORES. 13. 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) (0)
Chapter 4 Alkaloids as Inhibitors of Monoamine Oxidases and Their Role in the Central Nervous System (2014) (0)
OXYGEN-17 NUCLEAR MAGNETIC RESONANCE. THE EFFECTS OF REMOTE UNSATURATION ON OXYGEN-17 CHEMICAL SHIFTS IN POLYCYCLIC ETHERS (1981) (0)
Molecular Graphics and Modeling on the PC (1988) (0)
CCDC 881634: Experimental Crystal Structure Determination (2013) (0)
A NEW, DOUBLY CONVERGENT SYNTHESIS OF ANTHRACYCLINONES. DIELS-ALDER ADDITIONS TO 2,3,5,6-TETRAKIS(METHYLENE)-7-OXANORBORNANE (1980) (0)
8-Substituted Xanthines as Phosphodiesterase Inhibitors: Conformation-Dependent Lipophilicity and Structure-Activity Relationships (1989) (0)
Evaluation of passive permeability through GIT of a set of natural compounds and plant extracts with the Hexadecane Membrane Parallel Artificial Membrane Permeability Assay (2014) (0)
Methodologies to Assess Drug Permeation Through the Blood–Brain Barrier for Pharmaceutical Research (2013) (0)
Molecular modeling in drug design : funny, futile, Or fertile (1994) (0)
STEREOSELECTIVE CONTROL IN THE BASE-CATALYZED HYDROGEN/DEUTERIUM EXCHANGE OF 5,6-DIMETHYLIDENE-2-BICYCLO(2.2.N)ALKANONE TRICARBONYLIRON COMPLEXES. REVISION OF THE STRUCTURES OF TRICARBONYLIRON COMPLEXES O 5,6-DIMETHYLIDENEBICYCLO(2.2. (1984) (0)
π‐Facial Diastereoselection in (4 + 2) Cycloadditions of 3,4‐Epoxy‐ 2‐methyleneoxolanes with Oxadienes: A Short Synthesis of Spiroketals. (1994) (0)
Beta-adrenoceptor modeling based on MEP studies. (1989) (0)
Molecular lipophilicity potential as a tool in 3D QSAR: Method development and applications (1993) (0)
Synthesis, Biological Activity and Molecular Modelling of the 53-54 Ketomethylene Analogue ofHEL(52-61) . . (1998) (0)
Face Selectivity in the Diels-Alder Additions and Chelotropic Reaction of Sulfur-Dioxide of 2-Deuteriomethylene-3-Methylenebicyclo[2.2.1]Heptane (1985) (0)
Interactions Between Oxygen Lone‐Pair Orbitals and Double‐Bond π‐Orbitals in β,γ‐Unsaturated, Bicyclic Ketones: A PE‐Spectroscopic Investigation (1987) (0)
Comparison of the Performances of the Gaussian and Cadpac-Abinitio Program Packages on Different Computers (1991) (0)
Ecole de Pharmacie Geneve-Lausanne: A novel center of excellence in Geneva (2005) (0)
Antioxidant profiling of new chemical entities from synthetic and natural origin (2009) (0)
The Electron-Donating Carbonyl Group Total Synthesis of Rare Sugars (1989) (0)
P-414 METABOLOMIC STUDY OF THE EFFECTS OF WOUNDING ON A. THALIANA BASED ON RAPID TOF-MS SCREENING AND HIGH RESOLUTION UPLC-TOF-MS PROFILING (2006) (0)
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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