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List of works by Bernard Testa

A cellular automata model of ligand passage over a protein hydrodynamic landscape

scientific article

A cellular automata model of water structuring by a chiral solute

scientific article published on 01 May 2002

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

scientific article

Approaching Pharmacological Space: Events and Components

scientific article published on 01 January 2018

Assessing drug-likeness--what are we missing?

scientific article published on 16 January 2008

Atomic diversity, molecular diversity, and chemical diversity: the concept of chemodiversity

scientific article published in August 2009

Binding Space Concept: A New Approach To Enhance the Reliability of Docking Scores and Its Application to Predicting Butyrylcholinesterase Hydrolytic Activity

scientific article published on 20 June 2017

Charge and Delocalisation Effects on the Lipophilicity of Protonable Drugs

Chemodiversity and molecular plasticity: recognition processes as explored by property spaces

scientific article published on June 2011

Compared pharmacological characteristics in humans of racemic cetirizine and levocetirizine, two histamine H1-receptor antagonists ⬇️

scientific article published on October 1, 2003

Conformational fluctuations versus constraints in amino acid side chains: the evolution of information content from free amino acids to proteins

scientific article published on 01 March 2006

Determination of lipophilicity by reversed-phase high-performance liquid chromatography. Influence of 1-octanol in the mobile phase

scientific article published in October 2005

Development of a method to investigate the hydrolysis of xenobiotic esters by a Mycobacterium smegmatis homogenate

scientific article published on 16 February 2011

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

Drug metabolism for the perplexed medicinal chemist

scientific article

Editorial

Effects of Charge and Intramolecular Structure on the Lipophilicity of Nitrophenols

scientific article published in 1999

Emergent chemodiversity: The case of stereoisomerism in acyclic alkanes

scientific article

Emerging Chemodiversity and Stereoisomerism in Acyclic Mono- and Dichloroalkanes.

scientific article published on 29 October 2018

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

Erratum: Editor's note: Professor Andre Collet 1945-1999

scholarly article by John Caldwell et al published 2000 in Chirality

Esters of Pyrazinoic Acid Are Active against Pyrazinamide-Resistant Strains of Mycobacterium tuberculosis and Other Naturally Resistant Mycobacteria In Vitro and Ex Vivo within Macrophages

scientific article

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

Exploring the space of histidine containing dipeptides in search of novel efficient RCS sequestering agents

scientific article published on 30 May 2013

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes

scientific article published on 30 July 2019

Hepatocyte hollow-fibre bioreactors: design, set-up, validation and applications

scientific article published on September 2003

Homology Modeling of Human Serum Carnosinase, a Potential Medicinal Target, and MD Simulations of Its Allosteric Activation by Citrate

article

Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0.

scientific article published on 11 July 2010

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

In silico prediction of human carboxylesterase-1 (hCES1) metabolism combining docking analyses and MD simulations

scientific article published in 2010

Influence of ionization state on the activation of temocapril by hCES1: a molecular-dynamics study

scientific article published in November 2009

Ionic Partition Diagram of the Zwitterionic Antihistamine Cetirizine

Ionic Partition Diagrams: A Potential−pH Representation

scientific article published in 1996

Lack of enantioselectivity in the SULT1A3-catalyzed sulfoconjugation of normetanephrine enantiomers: an in vitro and computational study

scientific article published on 24 September 2012

Lessons learned from marketed and investigational prodrugs

scientific article published on May 2004

Lipophilicity Profiles of Ampholytes

scientific article published on 01 December 1997

Lipophilicity and Its Relationship with Passive Drug Permeation ⬇️

scientific article published on October 30, 2010

Lipophilicity and solvation of anionic drugs

scientific article

Lipophilicity plays a major role in modulating the inhibition of monoamine oxidase B by 7-substituted coumarins

scientific article published in February 2006

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

scientific article

Mechanisms and pharmaceutical consequences of processes of stereoisomerisation - A didactic excursion

scientific article published on 7 April 2016

MetaQSAR: An Integrated Database Engine to Manage and Analyze Metabolic Data.

scientific article published on 15 December 2017

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

Muscarinic receptors: A comparative analysis of structural features and binding modes through homology modelling and molecular docking

article

Musings on ADME predictions and structure-activity relations

scientific article published on November 2005

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)

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

scientific article published on 01 November 2005

Organic Stereochemistry. Part 1. Symmetry Elements and Operations, Classification of Stereoisomers

article

Organic Stereochemistry. Part 4

article

Organic Stereochemistry. Part 5

article

Organic Stereochemistry. Part 6

article

Partition Coefficient and Molecular Flexibility: The Concept of Lipophilicity Space

scholarly article by Giulio Vistoli published in August 2009

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

scientific article published in December 2003

Passive lipoidal diffusion and carrier-mediated cell uptake are both important mechanisms of membrane permeation in drug disposition

scientific article published on 06 May 2014

Pharmaceutical sciences, scientists, and journals--a tribute to pharmaceutical research for its coming of age

scientific article published on 01 February 2005

Predicting drug metabolism--an evaluation of the expert system METEOR.

scientific article published in July 2005

Predicting drug metabolism: experiment and/or computation?

scientific article published on 24 April 2015

Predicting the oxidative metabolism of statins: an application of the MetaSite algorithm

scientific article published on March 2007

Predicting the physicochemical profile of diastereoisomeric histidine-containing dipeptides by property space analysis

scientific article published on 8 May 2012

Prediction of UGT-mediated Metabolism Using the Manually Curated MetaQSAR Database

scientific article published on 12 February 2019

Prediction of the Formation of Reactive Metabolites by A Novel Classifier Approach Based on Enrichment Factor Optimization (EFO) as Implemented in the VEGA Program

Prodrug research: futile or fertile?

scientific article published in December 2004

Prodrugs: bridging pharmacodynamic/pharmacokinetic gaps

scientific article published on 25 May 2009

Qualitative structure-metabolism relationships in the hydrolysis of carbamates.

scientific article

Quantitative monitoring of tamoxifen in human plasma extended to 40 metabolites using liquid-chromatography high-resolution mass spectrometry: new investigation capabilities for clinical pharmacology

scholarly article by Elyes Dahmane et al published April 2014 in Analytical and Bioanalytical Chemistry

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

Range and Sensitivity as Descriptors of Molecular Property Spaces in Dynamic QSAR Analyses

Reactions and enzymes in the metabolism of drugs and other xenobiotics

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

scientific article

Screening of non-alkaloidal natural compounds as acetylcholinesterase inhibitors

scientific article

Screening of the inhibitory effect of xenobiotics on alcohol metabolism using S9 rat liver fractions

scientific article published on 03 July 2012

Simulations in evolution. II. Relative fitness and the propagation of mutants

scientific article published on 01 March 2009

Simulations in evolution. III. Randomness as a generator of opportunities

scientific article published in January 2013

Small molecules as exemplars of emergent properties and diversification into the 'adjacent possible'.

scientific article

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

Solvent constraints on the property space of acetylcholine. 2. Ordered media

scientific article

Solvent constraints on the property space of acetylcholine. I. Isotropic solvents

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-Metabolism Relations and the Challenge of Predicting Biotransformation

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

Studies of ligand diffusion pathways over a protein surface

scientific article published in January 2003

Synthesis and monoamine oxidase inhibitory activity of new pyridazine-, pyrimidine- and 1,2,4-triazine-containing tricyclic derivatives

scientific article

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

The Biochemistry of Drug Metabolism - An Introduction

scholarly article by Stefanie D. Krämer & Bernard Testa published July 2009 in Chemistry and Biodiversity

The bioavailability of bromazepam, omeprazole and paracetamol given by nasogastric feeding tube

scientific article published on 3 February 2009

The biochemistry of drug metabolism--an introduction: Part 2. Redox reactions and their enzymes

scientific article

The biochemistry of drug metabolism--an introduction: part 1. Principles and overview.

scientific article

The biochemistry of drug metabolism--an introduction: part 3. Reactions of hydrolysis and their enzymes

scientific article published on September 2007

The biochemistry of drug metabolism--an introduction: part 4. reactions of conjugation and their enzymes

scientific article

The biochemistry of drug metabolism--an introduction: part 5. Metabolism and bioactivity

scientific article

The biochemistry of drug metabolism--an introduction: part 6. Inter-individual factors affecting drug metabolism

scientific article

The biochemistry of drug metabolism--an introduction: part 7. Intra-individual factors affecting drug metabolism.

scientific article published on October 2009

The conformational and property space of acetylcholine bound to muscarinic receptors: an entropy component accounts for the subtype selectivity of acetylcholine

scientific article published on 15 May 2007

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

The solute-solvent system: solvent constraints on the conformational dynamics of acetylcholine

scientific article

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

scientific article published in August 2002

To Monty Kier, a friendly tribute

scientific article published in June 2012

Types of stereoselectivity in drug metabolism: a heuristic approach

scientific article

Variation, natural selection, and information content--a simulation

scientific article published in October 2007

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