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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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Detalles Bibliográficos
Autores principales: Rampogu, Shailima, Shaik, Baji, Kim, Ju Hyun, Jung, Tae Sung, Ha, Min Woo, Lee, Keun Woo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9932657/
https://www.ncbi.nlm.nih.gov/pubmed/36816262
http://dx.doi.org/10.1016/j.heliyon.2023.e13324