Virtual Screening of Indonesian Herbal Database as HIV-1 Protease Inhibitor

被引：12

作者：

Yanuar, Arry ^{[1
]}

Suhartanto, Heru ^{[2
]}

Mun'im, Abdul ^{[1
]}

Anugraha, Bram Hik ^{[1
]}

Syahdi, Rezi Riadhi ^{[1
]}

机构：

[1] Univ Indonesia, Fac Pharm, Depok 16424, Indonesia

[2] Univ Indonesia, Fac Comp Sci, Depok 16424, Indonesia

来源：

BIOINFORMATION | 2014年 / 10卷 / 02期

关键词：

Indonesian herbal database; HIV-1; protease; molecular docking; virtual screening;

D O I：

10.6026/97320630010052

中图分类号：

Q [生物科学];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

HIV-1 (Human immunodeficiency virus type 1)'s infection is considered as one of most harmful disease known by human, the survivability rate of the host reduced significantly when it developed into AIDS. HIV drug resistance is one of the main problems of its treatment and several drug designs have been done to find new leads compound as the cure. In this study, in silico virtual screening approach was used to find lead molecules from the library or database of natural compounds as HIV-1 protease inhibitor. Virtual screening against Indonesian Herbal Database with AutoDock was performed on HIV-1 protease. From the virtual screening, top ten compounds obtained were 8-Hydroxyapigenin 8-(2 '',4 ''-disulfatoglucuronide), Isoscutellarein 4'-methyl ether, Amaranthin, Torvanol A, Ursonic acid, 5-Carboxypyranocyanidin 3-O-(6 ''-O-malonyl-beta-glucopyranoside), Oleoside, Jacoumaric acid, Platanic acid and 5-Carboxypyranocyanidin 3-O-beta-glucopyranoside.

引用

页码：52 / 55

页数：4

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