报告题目：Molecular Electrostatics Might Drive HIV-1 Budding 

报 告 人：湖南农业大学  刘跃武教授

报告时间：2024年6月19日下午5:10-5:50

报告地点：数学楼306

摘  要：HIV-1 budding is a key step in the HIV-1 life cycle. Gag proteins, as major structural proteins of HIV-1, can drive the HIV-1 budding. However, why they can drive HIV-1 budding is not fully understood. In this work, we focus on exploring the mechanism of driving HIV-1 budding for Gag proteins. We discover, to our surprise, that Gag protein has an abnormally high number of positive charges, whereas most proteins in human body have negative charges for their isoelectric points are less than Pondus Hydrogenii 7.4. Using our models we simulate the dynamic shapes of HIV-1 bud. Some geometrical parameters show that the simulated shape might agree with the corresponding HIV-1 bud in vivo. Moreover, the shape changes of HIV-1 bud with mutational Gag proteins in silicon also supports that the shape of HIV-1 bud heavily relies on positive charges of Gag proteins. Furthermore, the pausing/stalling mechanism of the HIV-1 budding is also systematically elaborated. This work can provide further insight into the HIV-1 budding mechanism and might help accelerate the efficiency of anti-AIDS drug design.

报告人简介：

刘跃武，博士，教授，硕士生导师。信科与统计系主任，湖南农业大学优秀教师，美国科罗拉多州立大学访问学者，湖南省计算数学应用软件协会理事，湖南省数学建模竞赛组委会委员。主要研究方向：计算系统生物学、生物信息学。主持国家自然科学基金面上项目、国家留学基金项目、湖南省自然科学基金面上项目、湖南省科技计划项目等，在Plos Computational Biology，Bulletin of Mathematical Biology等期刊发表论文30余篇，荣获湖南省自然科学三等奖。