Catalogo Articoli (Spogli Riviste)

OPAC HELP

Titolo:
Small molecule crystallography in drug design
Autore:
Wouters, J; Ooms, F;
Indirizzi:
Fac Univ Notre Dame Paix, Lab Chim Mol Struct, B-5000 Namur, Belgium Fac Univ Notre Dame Paix Namur Belgium B-5000 uct, B-5000 Namur, Belgium
Titolo Testata:
CURRENT PHARMACEUTICAL DESIGN
fascicolo: 7, volume: 7, anno: 2001,
pagine: 529 - 545
SICI:
1381-6128(200105)7:7<529:SMCIDD>2.0.ZU;2-2
Fonte:
ISI
Lingua:
ENG
Soggetto:
PROTEIN-LIGAND INTERACTIONS; VIRAL THYMIDINE KINASE; CATION-PI INTERACTIONS; MONOAMINE-OXIDASE; CYCLOSPORINE-A; BINDING-SITES; MEDICINAL CHEMISTRY; GENETIC ALGORITHM; CONFORMATIONAL-ANALYSIS; REVERSIBLE INHIBITION;
Tipo documento:
Review
Natura:
Periodico
Settore Disciplinare:
Life Sciences
Citazioni:
99
Recensione:
Indirizzi per estratti:
Indirizzo: Wouters, J Fac Univ Notre Dame Paix, Lab Chim Mol Struct, Rue Bruxelles 61, B-5000 Namur, Belgium Fac Univ Notre Dame Paix Rue Bruxelles 61 Namur Belgium B-5000
Citazione:
J. Wouters e F. Ooms, "Small molecule crystallography in drug design", CUR PHARM D, 7(7), 2001, pp. 529-545

Abstract

Crystal structures of small molecules (i.e. isolated ligands) are a sourceof valuable structural information helpful in the process of drug design (pharmacophore model elaborations, 3D QSAR, docking, and de novo design). Indeed, structural data obtained from small molecules crystallography can approach ligand-receptor binding by providing unique structural features both about the conformation (internal geometry) of the ligand(s) and about the intermolecular interaction potentially occurring within the active site of atarget (enzyme/receptor). Small molecule crystal structure databases can also be used in three dimensional search to identify new drug candidates. Future development in small molecule crystallography (e.g. powder diffraction) should also provide original solutions to complex problems related to polymorphism.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 26/01/20 alle ore 10:02:19