摘要
RGS蛋白家族(regulator of G protein signaling protein family)通过与G蛋白的Gα链的相互作用以及水解GTP,在调控细胞信号传导中起着重要作用.RGS蛋白家族中各蛋白结构上非常相似,具有一个保留约120个氨基酸的RGS盒子.这种同源性的特征使得药物具有很低的选择性以及高度的药理相似性.在本文中,我们使用分子动力学模拟研究了RGS4、RGS8以及RGS17这3种RGS蛋白,并使用动力学数据将RGS蛋白划分为不同的社区网络,进而深入理解了药理相似性以及给出了潜在的药物选择性.
Regulator of G protein signaling(RGS)protein family plays an important role in regulation of signal transduction through interacting with Gαsubunit of G protein and hydrolysis of GTP.RGS proteins are structurally similar with a conserved RGS-box containing approximately 120 amino acids.The homologous feature leads to a low selectivity of drugs and high pharmacology.In this study,molecular dynamics(MD)simulations have been employed to study the dynamics of RGS4,RGS8,and RGS17,partition structure of RGS proteins into community network utilizing the MD data,and to provide insights into pharmacology and potential selectivity.
作者
白艺昕
李勇
刘勇
BAI Yixin;LI Yong;LIU Yong(School of Mathematics and Statistics, Southwest University, Chongqing 400715, China;Orthopaedic Trauma, The First People's Hospital of Guiyang, Chenzhou, Hunan 424400, China;Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, China)
出处
《西南师范大学学报（自然科学版）》
CAS
2021年第10期85-90,共6页
Journal of Southwest China Normal University(Natural Science Edition)
基金
重庆自然科学基金项目(cstc2019jcyj-msxm2393)
中央高校基本科研业务费(XDJK2015C159).
关键词
RGS蛋白
社区网络
分子动力学
变构调节
RGS protein
community network
MD simulations
allosteric regulation
