Fragment-Based Design of Ligands Targeting a Novel Site on the Integrase Enzyme of Human Immunodeficiency Virus 1

被引：28

作者：

Wielens, Jerome ^{[1
,2
]}

Headey, Stephen J. ^{[1
]}

Deadman, John J. ^{[4
]}

Rhodes, David I. ^{[4
]}

Parker, Michael W. ^{[2
,3
]}

Chalmers, David K. ^{[1
]}

Scanlon, Martin J. ^{[1
]}

机构：

[1] Monash Univ, Monash Inst Pharmaceut Sci, Parkville, Vic 3052, Australia

[2] St Vincents Inst Med Res, Struct Biol Lab, Fitzroy, Vic 3065, Australia

[3] Univ Melbourne, Mol Sci & Biotechnol Inst Bio21, Dept Biochem & Mol Biol, Parkville, Vic 3010, Australia

[4] Avexa Ltd, Richmond 3121, Australia

来源：

CHEMMEDCHEM | 2011年 / 6卷 / 02期

基金：

澳大利亚研究理事会;

关键词：

antiviral agents; fragment-based drug design; HIV-1; integrase; NMR spectroscopy; HIV-1; INTEGRASE; CATALYTIC DOMAIN; CRYSTAL-STRUCTURE; GENE-PRODUCTS; INHIBITORS; REPLICATION; RALTEGRAVIR; INFECTION; BINDING; CORE;

D O I：

10.1002/cmdc.201000483

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Every little bit counts! Fragment-based screening has been used to identify a novel ligand binding site on HIV-1 integrase. Crystal structures of fragments bound at this site (shown) have been used to design elaborated second- generation compounds that bind with higher affinity and good ligand efficiency. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：258 / 261

页数：4

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