对接(动物)
计算生物学
药品
传染性
生物
交互网络
第41页
人类免疫缺陷病毒(HIV)
蛋白质-蛋白质相互作用
病毒生命周期
大分子对接
血浆蛋白结合
病毒学
病毒
病毒复制
蛋白质结构
免疫学
细胞生物学
医学
遗传学
抗体
药理学
基因
生物化学
护理部
表位
作者
Deeksha Pandey,Avijit Podder,Mansi Pandit,Latha Narayanan
标识
DOI:10.1080/07391102.2016.1227722
摘要
The major causative agent for Acquired Immune Deficiency Syndrome (AIDS) is Human Immunodeficiency Virus-1 (HIV-1). HIV-1 is a predominant subtype of HIV which counts on human cellular mechanism virtually in every aspect of its life cycle. Binding of viral envelope glycoprotein-gp120 with human cell surface CD4 receptor triggers the early infection stage of HIV-1. This study focuses on the interaction interface between these two proteins that play a crucial role for viral infectivity. The CD4-gp120 interaction interface has been studied through a comprehensive protein-protein interaction network (PPIN) analysis and highlighted as a useful step towards identifying potential therapeutic drug targets against HIV-1 infection. We prioritized gp41, Nef and Tat proteins of HIV-1 as valuable drug targets at early stage of viral infection. Lack of crystal structure has made it difficult to understand the biological implication of these proteins during disease progression. Here, computational protein modeling techniques and molecular dynamics simulations were performed to generate three-dimensional models of these targets. Besides, molecular docking was initiated to determine the desirability of these target proteins for already available HIV-1 specific drugs which indicates the usefulness of these protein structures to identify an effective drug combination therapy against AIDS.
科研通智能强力驱动
Strongly Powered by AbleSci AI