in silico screening and molecular dynamics simulations study to identify novel potent inhibitors against Mycobacterium tuberculosis DnaG primase
Acta Tropica(2019)
摘要
•Growing multi drug resistance (MDR) and extensive drug resistance (XDR) are the major short comings of the present treatment of tuberculosis.•DnaG primase is a promising drug target that has role in initiation of DNA replication.•Diverse chemical compound libraries were screened in silico to identify the potential inhibitors against DnaG primase.•Four potent drug-like compounds identified and validated by molecular dynamics simulations.•Lys 101, Glu 137 and Asp 188 in the active site of DnaG primase predominantly formed the hydrogen bonds with the drug-like compounds.
更多查看译文
关键词
DnaG primase,Mycobacterium tuberculosis,Homology modeling,in silico screening,Molecular dynamics simulations
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要