Identification of novel inhibitors targeting Mycobacterium abscessus InhA through virtual screening, docking, and molecular dynamic simulations

Abstract Effective treatment options for Mycobacterium abscessus (MAB) pulmonary diseases (PD) are limited due to inadequate drug efficacy, rising drug resistance, and genetic mutations. New compounds are urgently needed to treat MAB-PD. The MAB Enoyl Acyl Carrier Protein (ACP) Reductase InhA (MAB-I...

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Библиографические подробности

Главные авторы:	Munawar Abbas, Abdullah R. Alanzi, Kashif Iqbal Sahibzada, Mariyam Nawaz, Ghulam Fatima, Dong-Qing Wei
Формат:	Artigo
Язык:	Inglês
Опубликовано:	Nature Portfolio 2025-04-01
Серии:	Scientific Reports
Предметы:	Mycobacterium abscessus MD simulations InhA Pharmacophore Bioactive Inhibitors
Online-ссылка:	https://doi.org/10.1038/s41598-025-97513-2
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