Computer tools in the discovery of HIV-1 integrase inhibitors.

Abstract:

:Computer-aided drug design (CADD) methodologies have made great advances and contributed significantly to the discovery and/or optimization of many clinically used drugs in recent years. CADD tools have likewise been applied to the discovery of inhibitors of HIV-1 integrase, a difficult and worthwhile target for the development of efficient anti-HIV drugs. This article reviews the application of CADD tools, including pharmacophore search, quantitative structure-activity relationships, model building of integrase complexed with viral DNA and quantum-chemical studies in the discovery of HIV-1 integrase inhibitors. Different structurally diverse integrase inhibitors have been identified by, or with significant help from, various CADD tools.

journal_name

Future Med Chem

authors

Liao C,Nicklaus MC

doi

10.4155/fmc.10.193

subject

Has Abstract

pub_date

2010-07-01 00:00:00

pages

1123-40

issue

7

eissn

1756-8919

issn

1756-8927

journal_volume

2

pub_type

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