Binding mode prediction of strand transfer HIV-1 integrase inhibitors using Tn5 transposase as a plausible surrogate model for HIV-1 integrase

被引：32

作者：

Barreca, ML ^{[1
]}

De Luca, L ^{[1
]}

Iraci, N ^{[1
]}

Chimirri, A ^{[1
]}

机构：

[1] Univ Messina, Dipartimento Farmacochim, I-98168 Messina, Italy

来源：

JOURNAL OF MEDICINAL CHEMISTRY | 2006年 / 49卷 / 13期

关键词：

BETA-DIKETO ACIDS; ACTIVE-SITE; RESISTANCE; MECHANISM; TARGET;

D O I：

10.1021/jm060323r

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

The crystal structure of Tn5 transposase-DNA complex was used in docking experiments to predict binding modes of HIV-1 integrase strand transfer inhibitors ( INSTIs). In fact, the identification of HIV-1 integrase inhibitors from an in vitro screen using Tn5 transposase as the target has been recently reported. Our results suggest the utility of this protein as a useful surrogate model for IN and also for in silico screening, in the search for new potential INSTIs.

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收藏

页码：3994 / 3997

页数：4

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