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 < < Contributions Pr. Bernard Testa |
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Contributions Pr. Bernard Testa
Publications : 2010
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1: |
Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock : a parallelized tool based on AutoDock 4.0 (pdf, 729ko)
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Vistoli G, Pedretti A, Mazzolari A, Testa B.
J Comput Aided Mol Des, 24, 771-787, 2010 |
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2: |
In silico prediction of human carboxylesterase-1 (hCES1) metabolism combining docking analyses and MD simulations (pdf, 689ko)
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Vistoli G, Pedretti A, Mazzolari A, Testa B.
Bioorganic & Medicinal Chemistry, 18. 320-329, 2010 |
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3: |
Principles of drug metabolism (pdf, 957ko)
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Testa B.
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4: |
Qualitative structure-metabolism relationship in the hydrolysis of carbamates (pdf, 4141ko)
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Vacondio F, Silva C, Mor M, Testa B.
Drug Metabolism Reviews, 42(4), 551-589, 2010 |
Publications : 2009
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1: |
Atomic diversity, molecular diversity, chemical diversity: The concept of chemodiversity.
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Testa B, Vistoli G, Pedretti A, Bojarski AJ.
Chemistry and Biodiversity, 6, 1145-1151, 2009. |
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2: |
Dispersal (entropy) and recognition (information) as foundations of emergence and dissolvence.
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Testa B.
Entropy, 11, 993-1000, 2009. |
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3: |
Drug metabolism for the perplexed medicinal chemist.
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Testa B.
Chemistry and Biodiversity, 6, 2055-2070, 2009. |
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4: |
Influence of ionization state on the activation of temocapril by hCES1: A molecular dynamics study.
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Vistoli G, Pedretti A, Mazzolari A, Bolchi C, Testa B.
Chemistry and Biodiversity, 6, 2092-2100, 2009. |
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5: |
Partition coefficient and molecular flexibility: The concept of lipophilicity space.
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Vistoli G, Pedretti A, Testa B.
Chemistry and Biodiversity, 6, 1152-1169, 2009. |
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6: |
Prodrugs: Bridging pharmacodynamic/pharmacokinetic gaps.
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Testa B.
Current Opinion in Chemical Biology, 13, 338-344, 2009. |
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7: |
Simulations in evolution. II. Relative fitness and the propagation of mutants.
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Testa B, Bojarski AJ.
Chemistry and Biodiversity, 6, 356-368, 2009. |
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8: |
The Biochemistry of Drug Metabolism - An Introduction. Part 5: Metabolism and bioactivity.
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Testa B, Krämer SD.
Chemistry and Biodiversity, 6, 591-684, 2009. |
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9: |
The Biochemistry of Drug Metabolism - An Introduction. Part 7: Intra-Individual Factors Affecting Drug Metabolism.
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Krämer SD, Testa B.
Chemistry and Biodiversity, 6, 1477-1660, 2009. |
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10: |
The bioavailability of bromazepam, omeprazole and paracetamol given by nasogastric tube.
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Podilsky G, Berger-Gryllaki M, Testa B, Buclin T, Roulet M, Pannatier A.
European Journal of Clinical Pharmacology, 65, 435-442, 2009. |
Publications : 2008
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1: |
Assessing drug-likeness – What are we missing?
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Vistoli G, Pedretti A, Testa B.
Drug Discovery Today, 13, 285-293, 2008. |
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2: |
Biotransformation reactions and their enzymes. |
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Testa B.
in "The Practice of Medicinal Chemistry", 3rd Edition, edited by C. G. Wermuth, Elsevier-Academic Press, Amsterdam, 2008, pp. 655-673. |
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3: |
Development and validation of an HPLC method for the simultaneous monitoring of bromazepam and omeprazole.
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Podilsky G, Berger-Gryllaki M, Testa B, Pannatier A.
Journal of Liquid Chromatography and Related Technologies, 31, 878-890, 2008. |
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4: |
Drug Bioavailability – Estimation of Solubility, Permeability, Absorption and Bioavailability. 2nd Edition. |
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van de Waterbeemd H, Testa B, editors.
Wiley-VCH, Weinheim, Germany, 2008, xxv + 624 pages. |
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5: |
Introduction: The how and why of bioavailability research. |
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van de Waterbeemd H, Testa B.
in "Drug Bioavailability – Estimation of Solubility, Permeability, Absorption and Bioavailability", 2nd Edition, Wiley-VCH, Weinheim, Germany, 2008, pp. 1-6. |
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6: |
Prodrugs |
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Testa B.
in "Drug Bioavailability – Estimation of Solubility, Permeability, Absorption and Bioavailability", 2nd Edition, Wiley-VCH, Weinheim, Germany, 2008, pp. 559-570. |
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7: |
The Biochemistry of Drug Metabolism - An Introduction. Part 4: Reactions of Conjugation and their Enzymes.
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Testa B. Krämer SD.
Chemistry and Biodiversity, 5, 2171-2336, 2008. |
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8: |
The Biochemistry of Drug Metabolism - An Introduction. Part 6: Inter-individual factors affecting drug metabolism
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Krämer SD, Testa B.
Chemistry and Biodiversity 5, 2465-2578, 2008. |
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9: |
The Biochemistry of Drug Metabolism - Principles, Redox Reactions, Hydrolyses. |
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Testa B, Krämer SD, authors
Verlag Helvetica Chimica Acta, Zurich, and Wiley-VCH, Weinheim, Germany, 2008, XIII + 319 pages. |
Publications : 2007
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1: |
A fresh look at molecular structure and propertiesin Drug Properties: Measurement and Computation. |
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Testa B, Vistoli G, Pedretti A.
R. Mannhold, ed., Wiley-VCH, Weinheim, 2007, pp. 3-24. |
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2: |
ADME-Tox Approaches. |
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Testa B & Van De Waterbeemd H, Editors.
Volume 5 in Comprehensive Medicinal Chemistry Second Edition, edited by J. B. Taylor & D. J. Triggle, Elsevier, Oxford, UK, 2007, xxix + 1152 pages. |
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3: |
In silico pharmacology for drug discovery: Applications to targets and beyond.
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Ekins S, Mestres J, Testa B.
British Journal of Pharmacology, 152, 21-37, 2007. |
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4: |
In silico pharmacology for drug discovery: Methods for virtual ligand screening and profiling.
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Ekins S, Mestres J, Testa B.
British Journal of Pharmacology, 152, 9-20, 2007. |
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5: |
Predicting the oxidative metabolism of statins. An application of the MetaSite algorithm.
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Caron G, Ermondi G, Testa B.
Pharmaceutical Research, 24, 480-501, 2007. |
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6: |
Principles of Drug Metabolism 2: Hydrolysis and Conjugation Reactionsin ADME-Tox Approaches. |
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Testa B.
Volume 5 in Comprehensive Medicinal Chemistry II (J.B. Taylor & D.J. Triggle, Eds.), Elsevier, Oxford, UK, 2007, pp. 133-166. |
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7: |
Prodrug objectives and designin ADME-Tox Approaches. |
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Testa B.
Volume 5 in Comprehensive Medicinal Chemistry II (J.B. Taylor & D.J. Triggle, Eds.), Elsevier, Oxford, UK, 2007, pp. 1009-1041. |
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8: |
Synthesis and monoamine oxidase inhibitory activity of new pyridazine-, pyrimidine- and 1,2 4-triazine-containing tricyclic derivatives.
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Carotti A, Catto M, Leonetti F, Campagna F, Soto-Otero R, Mendez-Alvarez E, Thull U, Testa B & C.
Journal of Medicinal Chemistry, 50, 5364-5371, 2007). |
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9: |
The Why and How of Absorption, Distribution, Metabolism, Excretion and Toxicity Researchin ADME-Tox Approaches. |
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Van De Waterbeemd H, Testa B.
Volume 5 in Comprehensive Medicinal Chemistry II (J.B. Taylor & D.J. Triggle, Eds.), Elsevier, Oxford, UK, 2007, pp. 1-9. |
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10: |
The biochemistry of drug metabolism – An introduction. Part 2: Redox reactions and their enzymes.
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Testa B, Krämer SD.
Chemistry and Biodiversity, 4, 257-405, 2007. |
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11: |
The biochemistry of drug metabolism – An introduction. Part 3: Reactions of hydrolysis and their enzymes.
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Testa B, Krämer SD.
Chemistry and Biodiversity, 4, 2031-2122, 2007. |
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12: |
The conformational and property space of acetylcholine bound to muscarinic receptors.
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Vistoli G, Pedretti A, Testa B, Matucci R.
Archives of Biochemistry and Biophysics , 464, 112-121, 2007. |
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13: |
Variation, natural selection and information content – A simulation.
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Testa B, Bojarski AJ.
Chemistry and Biodiversity, 4, 2458-2472, 2007. |
Publications : 2006
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1: |
Conformational fluctuations versus constraints in amino acid side chains: The evolution of information content from free amino acids to proteins.
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Bojarski AJ, Nowack M, Testa B.
Chem. Biodivers. 2006; 3(3), 245-273 (Facteur impact 1.4). |
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2: |
Development of an in vitro rat intestine segmental perfusion model to investigate permeability and predict oral fraction absorbed.
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Castella ME, Reist M, Mayer J.M, Turban J.J, Testa B, Boursier-Neyret CL, Walther B, Delbos JM, Carrupt PA.
Pharm. Res., 2006; 23(7), 1543-1553 (Facteur Impact 2.7). |
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3: |
Homology modeling of human serum carnosinase, a potential medicinal target, and MD simulations of its allosteric activation by citrates.
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Vistoli G, Pedretti A, Cattaneo M, Aldini G, Testa B.
J. Med. Chem., 2006; 49(11), 3269-3277 (Facteur Impact 4.9). |
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4: |
Lipophilicity plays a major role in modulating monoamine oxidase B (MAO-B) inhibition by 7-substituted coumarins.
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Carotti A, Altomare C, Catto M, Gnerre C, Summo L, De Marco A, Rose S, Jenner P, Testa B.
Chem. Biodivers., 2006; 3(2), 134-149 (Facteur impact 1.4). |
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5: |
Molecular fields to assess recogniiton forces and property spaces. |
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Vistoli G, Pedretti A, Testa B.
Virtual ADMET Assessment in Target Selection and Maturation (B. Testa & L. Turski, Eds.), IOS Press, Amsterdam, 2006, pp. 119-132. |
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6: |
Muscarinic receptors: A comparative analysis of structural features and binding modes through homology modeling and molecular docking.
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Vistoli G, Pedretti A, Marconi C, Testa B.
Chem. Biodivers., 2006; 3(5) 481-501 (Facteur Impact 1.4). |
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7: |
Musing on ADME predictions and molecular structure.
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Testa B, Vistoli G, Pedretti A.
Virtual ADMET Assessment in Target Selection and Maturation (B. Testa & L. Turski, Eds.), IOS Press, Amsterdam, 2006, pp. 29-42. |
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8: |
Pharmacokinetic Profiling in Drug Research: Biological, Physicochemical and Computational Strategies. |
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Testa B, Kraemer SD, Wunderli-Allenspach H, Folkers G, Editors.
Verlag Helvetica Chimica Acta, Zurich, and Wiley-VCH, Weinheim, Germany, 2006, 493 pages. |
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9: |
The biochemistry of drug metabolism – An introduction. Part 1: Principles and overview.
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Testa B, Krämer SD.
Chem. Biodivers., 2006; 3(10), 1053-1101 (Facteur Impact 1.4). |
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10: |
The concept of property space: The case of acetylcholine. |
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Vistoli G, Pedretti A, Villa L, Testa B.
Pharmacokinetic Profiling in Drug Research: Biological, Physicochemical and Computational Strategies (B. Testa, S. Krämer, H. Wunderli-Allenspasch & G. Folkers,). Wiley-Verlag, Helvetica Chimica, Acta, Zurich, 2006, pp. 353-365. |
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11: |
Virtual ADMET Assessment in Target Selection and Maturation. |
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Testa B, TurskiI L, Editors.
IOS Press, Amsterdam, 2006, 255 pages. |
Publications : 2005
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1: |
Determination of lipophilicity by reversed-phase high-performance liquid chromatography (RP-HPLC) : The influence of 1-octanol in the mobile phase.
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Liu X, Tanaka H, Yamauchi A, Testa B, Chuman H.
Journal of Chromatography A , 1091, 51-59, 2005. |
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2: |
Editorial : Pharmaceutical Sciences, Scientists and Journals - A tribute to Pharmaceutical research for its coming of age.
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Testa B.
Pharmaceutical Research, 22, 173-174, 2005. |
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3: |
Metabolism of Drugs and Prodrugs. |
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Testa B.
Présentation orale: Symposium de la Société Portuguaise des Sciences Pharmaceutiques, Lisbonne (Portugal), 16 septembre 2005. |
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4: |
Musing on ADME predictions and structure-activity relations.
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Testa B, Vistoli G, Pedretti A.
Chemistry and Biodiversity, 2, 1411-1427, 2005. |
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5: |
PacifiChem 2005. |
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Testa B.
Présentation orale: Conférence organiséé par les Sociétés de Chimie du Bassin du Pacifique (USA, Canada, Japon, Chine, Corée, Australie, Nouvelle Zélande), Honolulu (USA), 15-20 décembre 2005. |
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6: |
Predicting drug metabolism - An evaluation of the expert system METEOR.
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Testa B, Balmat AL, Long A, Judson P.
Chemistry and Biodiversity, 2, 872-885, 2005. |
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7: |
Range and sensitivity as descriptors of molecular property spaces in dynamic QSAR analyses.
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Vistoli G, Pedretti A, Villa L, Testa B.
Journal of Medicinal Chemistry, 48, 4947-4952, 2005. |
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8: |
Solvent constraints on the property space of acetylcholine. I. Isotropic solvents.
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Vistoli G, Pedretti A, Villa L, Testa B.
Journal of Medicinal Chemistry, 48 (6), 1759-1767, 2005. |
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9: |
Solvent constraints on the property space of acetylcholine. II. Ordered media.
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Vistoli G, Pedretti A, Villa L, Testa B.
Journal of Medicinal Chemistry, 48, 6926-6935, 2005. |
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10: |
Virginia Tech Center for European Studies and Architercture. |
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Testa B.
Présentation orale : Symposium Computational Methods in Drug Design, Riva San Vitale (Suisse), 3-6 avril 2005. |
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11: |
Virtual ADMET Assessment in Target Selection and Maturation. |
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Testa B.
Présentation orale : Solvay Pharmaceuticals Conference, Lucerne (Suisse), 11-13 mai 2005. |
Publications : 2004
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1: |
A graphical similarity function to help ligand docking to proteins based on the Molecular Lipophilicity Potential. The case of the D2 dopamine receptor. |
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Carrupt P.A, Raynaud I, McLoughlin D, Bouchard G, Gaillard P, Billois F, Crivori P, Strange PG, Testa B.
Internet Electronic Journal of Molecular Design, 3, 443-463, 2004. |
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Editorial: Chemistry probing nature. |
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Kisakürek MV, Testa B.
Chemical Biodiversity, 1(1), 1-4, 2004. |
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3: |
Imidazole H3-antagonists: relationship between structure and ex vivo binding to rat brain H3-receptors.
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Vacondio F, Mor M, Silva C, Zuliani V, Rivara M, Rivara S, Bordi F, Plazzi P.V, Magnanini F, Bertoni S, Ballabeni V, Barocelli E, Carrupt P.A, Testa B.
European Journal of Pharmaceutical Sciences, 23(1), 89-98, 2004. |
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4: |
Lessons learned from marketed and investigational prodrugs.
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Ettmayer P, Amidon G, Clement B, Testa B.
Journal of Medicinal Chemistry, 47(10), 2393-2404, 2004. |
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Liposomes/water lipophilicity: Methods, information content, and pharmaceutical applications.
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Plemper van Balen G, Marca Martinet C, Caron G, Bouchard G, Reist M, Carrupt PA, Fruttero R, Gasco A, Testa B.
Med. Res. Rev., 24(3), 299-324, 2004. |
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6: |
Predicting drug metabolism: Concepts and challenges. |
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Testa B, Balmat AL, Long A.
Pure Appl. Chem., 76(5), 907-914, 2004. |
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7: |
Prodrug research: Futile or fertile ?
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Testa B.
Biochemical Pharmacology, 68(11), 2097-2106, 2004. |
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Quantitative structure-permeation relationships (QSPeRs) to predict skin permeation: a critical evaluation.
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Geinoz S, Guy RH, Testa B, Carrupt PA.
Pharm. Res., 21(1), 83-92, 2004. |
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Screening of non-alkaloidal natural compounds as acetylcholinesterase inhibitors. |
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Bruehlmann C, Marston A, Hostettmann K, Carrupt PA, Testa B.
Chemical Biodiversity, 1(6), 819-829, 2004. |
Publications : 2003
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1: |
Commentary: Compared pharmacological characteristics in humans of racemic cetirizine and levocetirizine, two histamine H1-receptor antagonists
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Tillement JP, Testa B, Brée F.
Biochemical Pharmacology, 66(7), 1123-1126, 2003. |
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2: |
Conformational constraints on side chains in protein residues increase their information content.
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Bojarski A, Nowak M, Testa B.
Cell. Molec. Life Science, 60(11), 2526-2531, 2003. |
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3: |
Hepatocyte hollow-fiber bioreactors: Design, setup, validation, and applications.
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Planchamp C, Vu TL, Mayer JM, Reist M, Testa B.
Journal of Pharmacy and Pharmacology, 55(9), 1181-1198, 2003. |
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4: |
Solvatochromic analysis of partition coefficients in the o-nitrophenyl octyl ether (o-NPOE)/water system. |
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Liu X, Bouchard G, Müller N, Galland A, Girault H, Testa B, Carrupt PA.
Helv. Chim. Acta, 86(11), 3533-3547, 2003. |
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5: |
Synthesis and QSAR analysis of H3-receptor antagonists containing a neutral heterocyclic polar group.
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Rivara S, Mor M, Bordi F, Silva C, Zuliani V, Vacondio F, Morini G, Plazzi PV, Carrupt PA, Testa B.
Drug Design Discovery, 18, 65-79, 2003. |
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6: |
Technical note: Partition coefficients of ionizable compounds in o-nitrophenyl octyl ether (o-NPOE)/water measured by the potentiometric method.
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Liu X, Bouchard G, Girault H, Testa B, Carrupt PA.
Analytical Chemistry, 75(24), 7036-7039, 2003. |
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