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List of works by Pierre-Alain Carrupt

A Comparison of the Solvation Properties of 2-Nitrophenyloctyl Ether, Nitrobenzene, andn-Octanol as Assessed by Ion Transfer Experiments

A fast screening strategy for characterizing peptide delivery by transdermal iontophoresis

scientific article published on 05 April 2009

A simple model to predict blood-brain barrier permeation from 3D molecular fields

scientific article

A study of interlaboratory influence on column evaluation

scientific article published on 01 September 2005

Advances in LC platforms for drug discovery

scientific article published on 05 April 2010

Alkaloids as Inhibitors of Monoamine Oxidases and Their Role in the Central Nervous System

Alkaloids from psychotria target sirtuins: in silico and in vitro interaction studies

scientific article published on 03 December 2014

An Effective Tool for Column Evaluation in the Analysis of Basic Compounds

Analysis of basic compounds at high pH values by reversed-phase liquid chromatography

scientific article published on 01 March 2004

Analytical tools for the physicochemical profiling of drug candidates to predict absorption/distribution

scientific article published on 02 February 2009

Antimitotic and antiproliferative activities of chalcones: forward structure-activity relationship.

scientific article

Antioxidant C-glucosylxanthones from the leaves of Arrabidaea patellifera.

scientific article

Antioxidant phenylethanoid glycosides and a neolignan from Jacaranda caucana

scientific article

Aurones as histone deacetylase inhibitors: identification of key features

scientific article

Biarylmethoxy isonipecotanilides as potent and selective inhibitors of blood coagulation factor Xa

Block of the hERG channel by bupivacaine: Electrophysiological and modeling insights towards stereochemical optimization

scientific article

Breast cancer resistance protein (BCRP/ABCG2): new inhibitors and QSAR studies by a 3D linear solvation energy approach.

scientific article

Characterization of chromatographic supports for the analysis of basic compounds

Charge and Delocalisation Effects on the Lipophilicity of Protonable Drugs

Comparison of various silica-based monoliths for the analysis of large biomolecules

scientific article

Computational studies on sirtuins from Trypanosoma cruzi: structures, conformations and interactions with phytochemicals

scientific article (publication date: February 2014)

Conformational analysis of α-methoxyketones. A photoelectron spectroscopic investigation of 3-methoxybicyclo[2.2.1]heptan-2-ones

Covalent modifications of antitetanus F(ab')2 fragments with natural and synthetic polyamines and their effects on the antibody endocytosis in cultured HL60 cells

scientific article published on 17 July 2008

Cyclic voltammetry of highly hydrophilic ions at a supported liquid membrane

article published in 2002

Cycloadditions of enones

D-LogP: an alignment-free 3D description of local lipophilicity for QSAR studies

scientific article published on 01 January 2004

Determination of alkane/water partition coefficients of polar compounds using hydrophilic interaction chromatography ⬇️

scientific article published on 01 September 2012

Determination of pKa values by capillary zone electrophoresis with a dynamic coating procedure

scientific article

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

article

Development of an in vitro rat intestine segmental perfusion model to investigate permeability and predict oral fraction absorbed

scientific article published on 21 June 2006

Diastereoselective radical alkylations of alkyl aryl sulfoxides

scientific article published in November 1996

Drug-protein binding: a critical review of analytical tools

scientific article published on 09 May 2010

Edaravone derivatives containing NO-donor functions

scientific article

Effects of Charge and Intramolecular Structure on the Lipophilicity of Nitrophenols

scientific article published in 1999

Enantiomeric resolution of sulfoxides on a DACH-DNB chiral stationary phase: A quantitative structure-enantioselective retention relationship (QSERR) study

article by Cosimo Altomare et al published 1993 in Chirality

Entacapone and tolcapone, two catechol O-methyltransferase inhibitors, block fibril formation of alpha-synuclein and beta-amyloid and protect against amyloid-induced toxicity

scientific article

Establishment of a Human 3D Tissue-Based Assay for Upper Respiratory Tract Absorption

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.

scientific article

Fast log P determination by ultra-high-pressure liquid chromatography coupled with UV and mass spectrometry detections

scientific article published on 18 June 2009

Ferulenol specifically inhibits succinate ubiquinone reductase at the level of the ubiquinone cycle

scientific article published on 02 February 2007

Fluoride curcumin derivatives: new mitochondrial uncoupling agents

scientific article

Global analytical strategy to measure drug-plasma protein interactions: from high-throughput to in-depth analysis

scientific article published on 18 April 2013

HDAC6 as a target for neurodegenerative diseases: what makes it different from the other HDACs?

scientific article

HDM-PAMPA to predict gastrointestinal absorption, binding percentage, equilibrium and kinetics constants with human serum albumin and using 2 end-point measurements

scientific article published on 2 November 2016

High performance affinity chromatography (HPAC) as a high-throughput screening tool in drug discovery to study drug-plasma protein interactions

scientific article published on 5 November 2012

High resolution ultra high pressure liquid chromatography-time-of-flight mass spectrometry dereplication strategy for the metabolite profiling of Brazilian Lippia species

scientific article published on 28 March 2012

High throughput UV method for the estimation of thermodynamic solubility and the determination of the solubility in biorelevant media

scientific article

High-throughput log P determination by MEEKC coupled with UV and MS detections.

scientific article

High-throughput log P determination by ultraperformance liquid chromatography: a convenient tool for medicinal chemists

scientific article published on 12 January 2008

How the flexibility of human histone deacetylases influences ligand binding: an overview

scientific article

How to increase the safety and efficacy of compounds against neurodegeneration? A multifunctional approach.

scientific article published on January 2012

Human recombinant monoamine oxidase B as reliable and efficient enzyme source for inhibitor screening

scientific article published on 27 July 2005

Human sirtuins: Structures and flexibility

scientific article

Imidazole H3-antagonists: relationship between structure and ex vivo binding to rat brain H3-receptors

scientific article

Immobilized artificial membrane HPLC in drug research.

scientific article

Immobilized artificial membrane liquid chromatography: proposed guidelines for technical optimization of retention measurements

scientific article

Immobilized pH gradient gel cell to study the pH dependence of drug lipophilicity

scientific article published in March 2006

Impact of species-dependent differences on screening, design, and development of MAO B inhibitors

scientific article

Improvement of a capillary electrophoresis/frontal analysis (CE/FA) method for determining binding constants: discussion on relevant parameters

scientific article published on 16 August 2010

In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities

scientific article published on 01 February 2007

In vitro screening assays to identify natural or synthetic acetylcholinesterase inhibitors: thin layer chromatography versus microplate methods

scientific article

Indole alkaloids and semisynthetic indole derivatives as multifunctional scaffolds aiming the inhibition of enzymes related to neurodegenerative diseases--a focus on Psychotria L. Genus

scientific article published in January 2014

Indole alkaloids of Psychotria as multifunctional cholinesterases and monoamine oxidases inhibitors

scientific article published on 19 December 2012

Inhibition screening method of microsomal UGTs using the cocktail approach

scientific article published on 12 February 2015

Ionic Partition Diagram of the Zwitterionic Antihistamine Cetirizine

Ionic Partition Diagrams: A Potential−pH Representation

scientific article published in 1996

Isolation and biological activity of compounds from Garcinia preussii

scientific article published on 7 February 2014

Isolation and quantification by high-performance liquid chromatography-ion-trap mass spectrometry of androgen sulfoconjugates in human urine.

scientific article published on 3 May 2008

Large, chemically diverse dataset of logP measurements for benchmarking studies

scientific article published on 3 November 2012

Lipophilicity Profiles of Ampholytes

scientific article published on 01 December 1997

Lipophilicity and solvation of anionic drugs

scientific article

Lipophilicity determination of highly lipophilic compounds by liquid chromatography

scientific article published in November 2009

Lipophilicity of basic drugs measured by hydrophilic interaction chromatography

scientific article published on 01 May 2009

Liposome/water lipophilicity: methods, information content, and pharmaceutical applications

scientific article

MLP Tools: a PyMOL plugin for using the molecular lipophilicity potential in computer-aided drug design

scientific article

Metabolite profiling of plant extracts by ultra-high-pressure liquid chromatography at elevated temperature coupled to time-of-flight mass spectrometry

article

Methodologies to Assess Drug Permeation Through the Blood–Brain Barrier for Pharmaceutical Research ⬇️

scientific article published on June 26, 2013

Modeling the met form of human tyrosinase: a refined and hydrated pocket for antagonist design

scientific article published on 14 May 2014

Modification of a PAMPA model to predict passive gastrointestinal absorption and plasma protein binding

scientific article

Molecular Docking Using the Molecular Lipophilicity Potential as Hydrophobic Descriptor: Impact on GOLD Docking Performance ⬇️

scientific article published on April 21, 2012

Molecular dynamics of zinc-finger ubiquitin binding domains: a comparative study of histone deacetylase 6 and ubiquitin-specific protease 5.

scientific article published on 30 November 2015

Molecular electrocatalysis for oxygen reduction by cobalt porphyrins adsorbed at liquid/liquid interfaces

scientific article published in March 2010

Molecular factors influencing retention on immobilized artifical membranes (IAM) compared to partitioning in liposomes and n-octanol

scientific article

Molecular-Dynamics and NMR Investigation of the Property Space of the Zwitterionic Antihistamine Cetirizine

Monoamine oxidase inhibition by Rhodiola rosea L. roots

scientific article

Multivariate data analysis of rapid LC-TOF/MS experiments from Arabidopsis thaliana stressed by wounding

article

NO-Donor COX-2 Inhibitors. New Nitrooxy-Substituted 1,5-Diarylimidazoles Endowed with COX-2 Inhibitory and Vasodilator Properties

scientific article published on 03 March 2007

NO-donor melatonin derivatives: synthesis and in vitro pharmacological characterization

scientific article published on 01 April 2007

Natural and Synthetic Xanthones as Monoamine Oxidase Inhibitors: Biological Assay and 3D-QSAR

scholarly article by Carmela Gnerre et al published 21 March 2001 in Helvetica Chimica Acta

Natural and synthetic geiparvarins are strong and selective MAO-B inhibitors. Synthesis and SAR studies

scientific article (publication date: 16 December 2002)

Non-specific SIRT inhibition as a mechanism for the cytotoxicity of ginkgolic acids and urushiols

scientific article published on 3 July 2014

Noncovalent PEGylation: different effects of dansyl-, L-tryptophan-, phenylbutylamino-, benzyl- and cholesteryl-PEGs on the aggregation of salmon calcitonin and lysozyme

scientific article published on 23 March 2012

Normal phase HPLC-based activity profiling of non-polar crude plant extracts - acetylcholinesterase inhibiting guttiferones from Montrouziera cauliflora as a case study

scientific article published on 26 April 2016

Novel RPLC stationary phases for lipophilicity measurement: solvatochromic analysis of retention mechanisms for neutral and basic compounds

scientific article published on 01 November 2005

Novel screening assay for antioxidant protection against peroxyl radical-induced loss of protein function

scientific article published on 01 November 2007

Numerical simulation of two-phase partition chromatography in microchannels for moderated logP measurements

scientific article published on 01 January 2005

Olive phenols efficiently inhibit the oxidation of serum albumin-bound linoleic acid and butyrylcholine esterase

scientific article published in April 2009

Optical biosensor analysis in studying new synthesized bicalutamide analogs binding to androgen receptor

scientific article published on 12 March 2014

Optimized liquid chromatography–mass spectrometry approach for the isolation of minor stress biomarkers in plant extracts and their identification by capillary nuclear magnetic resonance

article

Parallel artificial membrane permeability assay: a new membrane for the fast prediction of passive human skin permeability

scientific article published on 01 June 2006

Partition coefficients of ionizable compounds in o-nitrophenyl octyl ether/water measured by the potentiometric method

scientific article published in December 2003

Passive Intestinal Absorption of Representative Plant Secondary Metabolites: A Physicochemical Study

scientific article published on 13 February 2017

Pharmacophore-based discovery of inhibitors of a novel drug/proton antiporter in human brain endothelial hCMEC/D3 cell line

scientific article

Physicochemical Profiling of Sartans: A Detailed Study of Ionization Constants and Distribution Coefficients

Physicochemical profile and in vitro permeation behavior of a new class of non-steroidal anti-inflammatory drug candidates

scientific article published on 25 March 2010

Plant Metabolomics – Strategies for Biomarker Detection, Isolation, and Identification

article

Predicting both passive intestinal absorption and the dissociation constant toward albumin using the PAMPA technique

scientific article published on 4 July 2014

Prediction of the Passive Intestinal Absorption of Medicinal Plant Extract Constituents with the Parallel Artificial Membrane Permeability Assay (PAMPA).

scientific article published on 12 February 2016

Quantitative structure-permeation relationship for iontophoretic transport across the skin

scientific article

Quantitative structure-permeation relationships (QSPeRs) to predict skin permeation: a critical evaluation.

scientific article published on January 2004

Quantitative structure-permeation relationships for solute transport across silicone membranes

scientific article published in November 2002

Rapid determination of pK (a) values of 20 amino acids by CZE with UV and capacitively coupled contactless conductivity detections

scientific article published on 14 September 2007

Recognition forces involved in mitochondrial binding to a low-affinity trimetazidine binding site related to anti-ischemic activity

scientific article

Retention time prediction for dereplication of natural products (CxHyOz) in LC-MS metabolite profiling

scientific article published in December 2014

Screening of non-alkaloidal natural compounds as acetylcholinesterase inhibitors

scientific article

Solvatochromic Analysis of Partition Coefficients in theo-Nitrophenyl Octyl Ether (o-NPOE)/Water System

Standard machine learning algorithms applied to UPLC-TOF/MS metabolic fingerprinting for the discovery of wound biomarkers in Arabidopsis thaliana

scholarly article by Julien Boccard et al published November 2010 in Chemometrics and Intelligent Laboratory Systems

Standard partition coefficients of anionic drugs in the n-octanol/water system determined by voltammetry at three-phase electrodes

article by Géraldine Bouchard et al published 2003 in Physical Chemistry Chemical Physics

Stereoselective Block of hERG Channel by Bupivacaine Scrutinized at Molecular Level ⬇️

scientific article published on January 1, 2010

Stereoselective Inhibition of the hERG1 Potassium Channel.

scientific article

Structure-Based Design and Optimization of Multitarget-Directed 2H-Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases.

scientific article

Structure-Lipophilicity Relationships of Neutral and Protonatedβ-Blockers, Part I, Intra- and Intermolecular Effects in Isotropic Solvent Systems

scientific article published on 4 August 1999

Structure-Property Relationships in the Basicity and Lipophilicity of Arylalkylamine Oxides

Structure-antioxidant activity relationships in a series of NO-donor phenols

scientific article published in September 2008

Structure-permeation relationships for the non-invasive transdermal delivery of cationic peptides by iontophoresis

scientific article published on 03 June 2006

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.

scientific article

Synergy at the ' Ecole de Pharmacie Genève-Lausanne ': Methodology Developments for the Treatment of Complex Metabolomic Datasets with Data Mining

article published in 2005

Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity

scientific article published on 22 October 2013

Synthesis and three-dimensional quantitative structure-activity relationship analysis of H3 receptor antagonists containing a neutral heterocyclic polar group

scientific article published in January 2003

Synthesis physicochemical profile and PAMPA study of new NO-donor edaravone co-drugs

scientific article published on 08 December 2011

The Lipophilicity Behavior of Three Catechol-O-methyltransferase (COMT) Inhibitors and Simple Analogues

scientific article (publication date: 2006)

The PAMPA technique as a HTS tool for partition coefficients determination in different solvent/water systems

scientific article published on 21 June 2008

The School of Pharmacy Geneva-Lausanne (EPGL) - the first ten years

scientific article published in January 2012

The permeability P-glycoprotein: a focus on enantioselectivity and brain distribution

scientific article published on August 2010

The relative partitioning of neutral and ionised compounds in sodium dodecyl sulfate micelles measured by micellar electrokinetic capillary chromatography

scientific article published in March 2002

Theoretical and experimental exploration of the lipophilicity of zwitterionic drugs in the 1,2-dichloroethane/water system

scientific article published in August 2002

UPLC-TOF-MS for plant metabolomics: a sequential approach for wound marker analysis in Arabidopsis thaliana

scientific article

Ultra high pressure liquid chromatography for crude plant extract profiling

scientific article published on January 1, 2011

Unsymmetrical binding modes of the HOPNO inhibitor of tyrosinase: from model complexes to the enzyme

scientific article published on 29 January 2013

Water-oil partition profiling of ionized drug molecules using cyclic voltammetry and a 96-well microfilter plate system

scientific article

cIEF for rapid pKa determination of small molecules: a proof of concept

scientific article

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