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Titolo:
Virtual screening: An effective tool for lead structure discovery?
Autore:
Langer, T; Hoffmann, RD;
Indirizzi:
Innsbruck Univ, Inst Pharm, Dept Pharmaceut Chem, A-6020 Innsbruck, Austria Innsbruck Univ Innsbruck Austria A-6020 Chem, A-6020 Innsbruck, Austria Mol Simulat SARL, F-91898 Orsay, France Mol Simulat SARL Orsay France F-91898 imulat SARL, F-91898 Orsay, France
Titolo Testata:
CURRENT PHARMACEUTICAL DESIGN
fascicolo: 7, volume: 7, anno: 2001,
pagine: 509 - 527
SICI:
1381-6128(200105)7:7<509:VSAETF>2.0.ZU;2-G
Fonte:
ISI
Lingua:
ENG
Soggetto:
LIGAND-RECEPTOR BINDING; ALDOSE REDUCTASE; DOCKING; INHIBITORS; DATABASE; IDENTIFICATION; CHEMISTRY; PROTEINS; COMPLEX; DESIGN;
Tipo documento:
Review
Natura:
Periodico
Settore Disciplinare:
Life Sciences
Citazioni:
49
Recensione:
Indirizzi per estratti:
Indirizzo: Langer, T Innsbruck Univ, Inst Pharm, Dept Pharmaceut Chem, Innrain 52, A-6020 Innsbruck, Austria Innsbruck Univ Innrain 52 Innsbruck Austria A-6020uck, Austria
Citazione:
T. Langer e R.D. Hoffmann, "Virtual screening: An effective tool for lead structure discovery?", CUR PHARM D, 7(7), 2001, pp. 509-527

Abstract

Different methods of virtual screening as a tool for lead structure discovery are described. They range from structure based docking procedures to ligand based methods such as the chemical features based pharmacophore hypothesis approach. A review on several successful applications of virtual screening is given. Different approaches have been described to derive pharmacophore models, which were subsequently used for 3D database searching. The studies so far published cover a wide range of pharmacological applications. The results hereby obtained clearly indicate that focused assessment of corporate databases by virtual screening using well validated pharmacophore models yield to a significant improvement in lead structure determination compared to high throughput screening.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 28/01/20 alle ore 20:59:46