Musings on ADME predictions and Structure - Activity Relations

Chemistry and Biodiversity

Volumn 2, Issue 11, 2005, Pages 1411-1427

  Testa, Bernard ^a   Vistoli, Giulio ^b   Pedretti, Alessandro ^b  

^a LAUSANNE UNIVERSITY HOSPITAL   (Switzerland)

^b UNIVERSITY OF MILAN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLCHOLINE; BORNAPROLOL; CYTOCHROME P450 1A2; CYTOCHROME P450 2A6; CYTOCHROME P450 2C19; CYTOCHROME P450 2C9; CYTOCHROME P450 2D6; CYTOCHROME P450 2E1; CYTOCHROME P450 3A4; ENZYME INHIBITOR; MINAPRINE; OROSOMUCOID; RECEPTOR BLOCKING AGENT; WARFARIN; XENOBIOTIC AGENT;

CORRELATION ANALYSIS; DRUG ABSORPTION; DRUG DESIGN; DRUG DISTRIBUTION; DRUG EXCRETION; DRUG METABOLISM; DRUG OXIDATION; DRUG PROTEIN BINDING; DRUG RESEARCH; DRUG SPECIFICITY; DRUG TARGETING; ENZYME SPECIFICITY; HUMAN; LIGAND BINDING; LIPOPHILICITY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULAR SIZE; PHARMACODYNAMICS; PREDICTION; PROTEIN FUNCTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; STRUCTURE ACTIVITY RELATION;

FORECASTING; METABOLIC NETWORKS AND PATHWAYS; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 28844493408     PISSN: 16121872     EISSN: 16121880     Source Type: Journal    
DOI: 10.1002/cbdv.200590115     Document Type: Review

References (19)

1. B. Testa, Adv. Drug Res. 1984, 13, 1.
2. B. Testa, Pharm. News 2000, 7, 13.
3. B. Testa, Med. Chem. Res. 1997, 7, 340.
4. C. C. Pfeiffer, Science 1956, 124, 29.
5. B. Testa, Chirality 1989, 1, 7.
6. B. Testa, J. M. Mayer, in 'Handbook of Experimental Pharmacology, Vol, 153, Stereochemical Aspects of Drug Action and Disposition', Eds. M. Eichelbaum, B. Testa, A. Somogyi, Springer, Berlin, 2003, p. 143-159.
7. J. M. Mayer, B. Testa, Int. J. Bio-Chromatogr 2000, 5, 297.
8. H. Sies, Nature 1988, 332, 495.
9. B. Testa, Trends Pharmacol. Sci. 1987, 8, 381.
10. B. Testa, W. Soine, in 'Burger's Medicinal Chemistry and Drug Discovery', 6th edn., Ed. D. J. Abraham, Wiley-Interscience, Hoboken, 2003, Vol. 2, p. 431-498.
11. F. Hervé, G. Caron, J. C. Duché, P. Gaillard, N. A. Rahman, A. Tsantili-Kakoulidou, P. A. Carrupt, P. d'Athis, J. P. Tillement, B. Testa, Mol. Pharmacol. 1998, 54, 129.
12. P. A. Williams, J. Cosme, A. Ward, H. C. Angove, D. Matak Vinkovic, H. Jhoti, Nature 2003, 424, 464.
13. B. Testa, L. B. Kier, P. A. Carrupt, Med. Res. Rev. 1997, 17, 303.
14. I. Prigogine, Angew. Chem. 1978, 90, 704.
15. X.-K. Jiang, Acc. Chem. Res. 1988, 21, 362.
16. G. Vistoli, A. Pedretti, L. Villa, B. Testa, J. Am. Chem. Soc. 2002, 124, 7472.
17. G. Vistoli, A. Pedretti, L. Villa, B. Testa, J. Med. Chem. 2005, 48, 1759.
18. G. Vistoli, A. Pedretti, L. Villa, B. Testa, J. Med. Chem. 2005, 48, 6926.
19. P. A. Carrupt, B. Testa, P. Gaillard, 'Computational Approaches to Lipophilicity: Methods and Applications', in 'Reviews in Computational Chemistry, Vol. 11', Eds. K. B. Lipkowitz, D. B. Boyd, John Wiley & Sons, New York, 1997, p. 241-315.