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Titolo:
Prediction of intestinal absorption and blood-brain barrier penetration bycomputational methods
Autore:
Clark, DE;
Indirizzi:
Aventis Pharma Ltd, Dagenham RM10 7XS, Essex, England Aventis Pharma Ltd Dagenham Essex England RM10 7XS 10 7XS, Essex, England
Titolo Testata:
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING
fascicolo: 6, volume: 4, anno: 2001,
pagine: 477 - 496
SICI:
1386-2073(200109)4:6<477:POIAAB>2.0.ZU;2-Q
Fonte:
ISI
Lingua:
ENG
Soggetto:
MOLECULAR-SURFACE PROPERTIES; FAVORABLE BINDING-SITES; GLYCOPROTEIN-INTERACTING DRUGS; HUMAN ORAL BIOAVAILABILITY; SMALL ORGANIC-MOLECULES; HYDROGEN-BOND FUNCTIONS; MS-WHIM DESCRIPTORS; LIGAND PROBE GROUPS; P-GLYCOPROTEIN; PLS STATISTICS;
Tipo documento:
Review
Natura:
Periodico
Settore Disciplinare:
Life Sciences
Citazioni:
132
Recensione:
Indirizzi per estratti:
Indirizzo: Clark, DE Argenta Discovery Ltd, 8-9 Spire Green Complex, Harlow CM19 5TR,Essex, England Argenta Discovery Ltd 8-9 Spire Green Complex Harlow Essex England CM19 5TR
Citazione:
D.E. Clark, "Prediction of intestinal absorption and blood-brain barrier penetration bycomputational methods", COMB CHEM H, 4(6), 2001, pp. 477-496

Abstract

This review surveys the computational methods that have been developed with the aim of identifying drug candidates likely to fail later on the road to market. The specifications for such computational methods are outlined, including factors such as speed, interpretability, robustness and accuracy. Then, computational filters aimed at predicting "drug-likeness" in a general sense are discussed before methods for the prediction of more specific properties - intestinal absorption and blood-brain barrier penetration - are reviewed. Directions for future research are discussed and, in concluding, the impact of these methods on the drug discovery process, both now and in the future, is briefly considered.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 22/01/20 alle ore 18:29:17