期刊
JOURNAL OF MOLECULAR LIQUIDS
卷 281, 期 -, 页码 549-562出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molliq.2019.02.120
关键词
NPHS2 gene; Nephrotic syndrome type 2; Docking; Molecular dynamics simulation
资金
- Department of Science and Technology (DST), Government of India [SR/WOS-A/CS-135/2016]
Podocin is expressed in the nephrotic tissues and its mutation inside the gene have been associated to familial idiopathic type 2 nephrotic syndrome. Here we have analyzed the most affected mutation position R138Q of human podocin protein which occurs at SPFH_PODOCIN domain of the titled protein. Molecular docking study has been carried out through AutoDock vina to study the molecular interaction between mutant and wild type models of the studied protein with biological active compounds of Boerhaavia diffusa plant extracts. Both boeravinone B and F are having higher binding energy as compared to others in mutant protein. Furthermore, molecular dynamics simulation study was carried out of with a trajectory of 50 ns for both the wild type and mutant model. This study reveals that, flexibility nature decreases in the mutant protein. The recognition of disease related non-synonymous single nucleotide polymorphisms and analysis of their effects by computational approaches has potential to provided knowledge for the diagnosis, and treatment of diseases like nephrotic syndrome. (C) 2019 Published by Elsevier B.V.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据