In silico screening of small molecule modulators of Zika vir us proteins

被引：0
|
作者：
Pal, Rajesh [1 ]
Misra, Gauri [1 ]
Mathur, Puniti [1 ]
机构：
[1] Amity Univ Uttar Pradesh, Amity Inst Biotechnol, Sect 125, Noida, India
来源：
PROCEEDINGS OF THE 7TH INTERNATIONAL CONFERENCE ON CLOUD COMPUTING, DATA SCIENCE AND ENGINEERING (CONFLUENCE 2017) | 2017年
关键词：
Zika virus; NS2B/NS3; protease; NS3; helicase; molecular docking; virtual screening; structure based drug design; NS2B-NS3; PROTEASE; ACCURATE DOCKING; GLIDE; HELICASE;
D O I：
暂无
中图分类号：
TP [自动化技术、计算机技术];
学科分类号：
0812 ;
摘要：
Zika virus (ZIKV) has recently infected around 2 million people around the world and presently there is no USFDA approved drug in the market. In the present study, molecular docking analysis of two essential non-structural proteins NS2B/NS3 protease and NS3 helicase, which are involved in viral replication, has been reported. Identification of potential inhibitors could be considered as a strategy for treatment of the ZIKV infection. Using structure based drug design, docking of 1, 15,203 compounds were performed for both the proteins and 10 ligands were identified for each protein, which may serve as potential inhibitors. These molecules can further be validated in experimental studies.
引用
收藏
页码：381 / 386
页数：6
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