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In-silico design of potential mycobacterial membrane protein large 3 (MmpL3) inhibitors via 2D-QSAR, molecular docking, drug-likeness evaluation, and molecular dynamic simulation

The emergence of resistant strains of Mycobacterium tuberculosis (Mtb) poses a significant challenge to tuberculosis treatment, highlighting the need for novel anti-TB agents. This study aims to design and evaluate potential MmpL3 inhibitors as promising Mtb targets using an in silico guided bioinfo...

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Principais autores: Anne Jibrin, Adamu Uzairu, Vipin Kumar Mishra, Gideon Adamu Shallangwa, Stephen Eyije Abechi, Rakesh Srivastava, Abdullahi Bello Umar
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2025-09-01
coleção:The Microbe
Assuntos:
In-silico Design
MmpL3 inhibitors
Molecular Docking
Molecular Dynamic Simulation
Acesso em linha:http://www.sciencedirect.com/science/article/pii/S2950194625002997
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