Search Results - "TESTA, BERNARD"

Predicting drug metabolism: experiment and/or computation? by Kirchmair, Johannes, Göller, Andreas H., Lang, Dieter, Kunze, Jens, Testa, Bernard, Wilson, Ian D., Glen, Robert C., Schneider, Gisbert

“…Efficient and reliable ways to predict drug metabolism early in the drug discovery process are important in reducing the risk of costly later-stage attrition…”
Get full text

Reactions and enzymes in the metabolism of drugs and other xenobiotics by Testa, Bernard, Pedretti, Alessandro, Vistoli, Giulio

“…In this article, we offer an overview of the compared quantitative importance of biotransformation reactions in the metabolism of drugs and other xenobiotics,…”
Get full text

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes by Šícho, Martin, Stork, Conrad, Mazzolari, Angelica, de Bruyn Kops, Christina, Pedretti, Alessandro, Testa, Bernard, Vistoli, Giulio, Svozil, Daniel, Kirchmair, Johannes

“…In this work we present the third generation of FAst MEtabolizer (FAME 3), a collection of extra trees classifiers for the prediction of sites of metabolism…”
Get full text

Prediction of the Formation of Reactive Metabolites by A Novel Classifier Approach Based on Enrichment Factor Optimization (EFO) as Implemented in the VEGA Program by Mazzolari, Angelica, Vistoli, Giulio, Testa, Bernard, Pedretti, Alessandro

“…The study is aimed at developing linear classifiers to predict the capacity of a given substrate to yield reactive metabolites. While most of the hitherto…”
Get full text

Organic Stereochemistry. Part 3 by Testa, Bernard

“…This review continues a general presentation of the principles of stereochemistry with special reference to medicinal compounds. Here, we discuss further…”
Get full text

Drug Metabolism for the Perplexed Medicinal Chemist by Testa, Bernard

“…Two related and significant issues may elicit perplexity in medicinal chemists and are discussed here. First, a broad presentation of the pharmacological and…”
Get full text

Passive Lipoidal Diffusion and Carrier-Mediated Cell Uptake Are Both Important Mechanisms of Membrane Permeation in Drug Disposition by Smith, Dennis, Artursson, Per, Avdeef, Alex, Di, Li, Ecker, Gerhard F, Faller, Bernard, Houston, J. Brian, Kansy, Manfred, Kerns, Edward H, Krämer, Stefanie D, Lennernäs, Hans, van de Waterbeemd, Han, Sugano, Kiyohiko, Testa, Bernard

“…Recently, it has been proposed that drug permeation is essentially carrier-mediated only and that passive lipoidal diffusion is negligible. This opposes the…”
Get full text

Benzoic Acid Derivatives as Prodrugs for the Treatment of Tuberculosis by Pais, João P, Magalhães, Marta, Antoniuk, Olha, Barbosa, Ivete, Freire, Raquel, Pires, David, Valente, Emília, Testa, Bernard, Anes, Elsa, Constantino, Luis

“…One interesting approach to fight tuberculosis is the use of prodrugs that often have shown improved biological activities over drugs with poor absorption or…”
Get full text

Dispersal (Entropy) and Recognition (Information) as Foundations of Emergence and Dissolvence by Bernard Testa

“…The objective of this essay is to reflect on a possible relation between entropy and emergence. A qualitative, relational approach is followed. We begin by…”
Get full text

To Monty Kier, a friendly tribute by Testa, Bernard

Get more information

Qualitative structure-metabolism relationships in the hydrolysis of carbamates by Vacondio, Federica, Silva, Claudia, Mor, Marco, Testa, Bernard

“…The aims of this review were 1) to compile a large number of reliable literature data on the metabolic hydrolysis of medicinal carbamates and 2) to extract…”
Get full text

Fluoroquinolone Derivatives in the Treatment of Mycobacterium tuberculosis Infection by Pais, João Pedro, Policarpo, Margarida, Pires, David, Francisco, Ana Paula, Madureira, Ana Margarida, Testa, Bernard, Anes, Elsa, Constantino, Luís

“…Tuberculosis (TB) is currently one of the leading causes of death due to infective agents, and the growing rate of multidrug-resistant tuberculosis (MDR TB)…”
Get full text

Predicting Blood−Brain Barrier Permeation from Three-Dimensional Molecular Structure by Crivori, Patrizia, Cruciani, Gabriele, Carrupt, Pierre-Alain, Testa, Bernard

“…Predicting blood−brain barrier (BBB) permeation remains a challenge in drug design. Since it is impossible to determine experimentally the BBB partitioning of…”
Get full text

Quantitative structure-permeation relationships (QSPeRs) to predict skin permeation: a critical evaluation by Geinoz, Sandrine, Guy, Richard H, Testa, Bernard, Carrupt, Pierre-Alain

“…Development of reliable mathematical models to predict skin permeability remains a challenging objective. This article examines some of the existing algorithms…”
Get full text

Exploring the space of histidine containing dipeptides in search of novel efficient RCS sequestering agents by Vistoli, Giulio, De Maddis, Danilo, Straniero, Valentina, Pedretti, Alessandro, Pallavicini, Marco, Valoti, Ermanno, Carini, Marina, Testa, Bernard, Aldini, Giancarlo

“…The study reports a set of forty proteinogenic histidine-containing dipeptides as potential carbonyl quenchers. The peptides were chosen to cover as…”
Get full text

Coumarins Derivatives as Dual Inhibitors of Acetylcholinesterase and Monoamine Oxidase by Brühlmann, Corinne, Ooms, Frédéric, Carrupt, Pierre-Alain, Testa, Bernard, Catto, Marco, Leonetti, Francesco, Altomare, Cosimo, Carotti, Angelo

“…A set of 17 coumarin and 2 chromone derivatives with known inhibitory activity toward monoamine oxidase (MAO) A and B were tested as acetylcholinesterase…”
Get full text

Predicting the physicochemical profile of diastereoisomeric histidine-containing dipeptides by property space analysis by Vistoli, Giulio, Straniero, Valentina, Pedretti, Alessandro, Fumagalli, Laura, Bolchi, Cristiano, Pallavicini, Marco, Valoti, Ermanno, Testa, Bernard

“…Objectives This study aimed at measuring the lipophilicity and ionization constants of diastereoisomeric dipeptides, interpreting them in terms of…”
Get full text

Inhibition of Monoamine Oxidases by Functionalized Coumarin Derivatives:  Biological Activities, QSARs, and 3D-QSARs by Gnerre, Carmela, Catto, Marco, Leonetti, Francesco, Weber, Peter, Carrupt, Pierre-Alain, Altomare, Cosimo, Carotti, Angelo, Testa, Bernard

“…A large series of coumarin derivatives (71 compounds) were tested for their monoamine oxidase A and B (MAO-A and MAO-B) inhibitory activity. Most of the…”
Get full text

Compared pharmacological characteristics in humans of racemic cetirizine and levocetirizine, two histamine H1-receptor antagonists by Tillement, Jean-Paul, Testa, Bernard, Brée, Françoise

“…The potent histamine H(1)-receptor antagonist cetirizine (Zyrtec) is a racemic mixture of levocetirizine (now available under the trademark Xyzal and…”
Get full text

Immobilized Artificial Membrane HPLC in Drug Research by Taillardat-Bertschinger, Agnes, Carrupt, Pierre-Alain, Barbato, Francesco, Testa, Bernard

Get full text