Explicit molecular dynamics simulation studies to discover novel natural compound analogues as Mycobacterium tuberculosis inhibitors

Tuberculosis (TB) in one of the dreadful diseases present globally. This is caused by Mycobacterium tuberculosis. Mycobacterium tuberculosis dethiobiotin synthetase (MtDTBS) is an essential enzyme in biotin biosynthesis and is an ideal target to design and develop novel inhibitors. In order to effec...

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Bibliographic Details
Main Authors: Shailima Rampogu, Baji Shaik, Ju Hyun Kim, Tae Sung Jung, Min Woo Ha, Keun Woo Lee
Format: Article
Language:English
Published: Elsevier 2023-02-01
Series:Heliyon
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844023005315