Docking-Based Virtual Screening and Molecular Dynamics Simulations of Quercetin Analogs as Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors of Mycobacterium tuberculosis

The emergence of multidrug-resistant Mycobacterium tuberculosis (MTB) has become a major problem in treating tuberculosis (TB) and shows the need to develop new and efficient drugs for better TB control. This study aimed to use in silico techniques to discover potential inhibitors to the Enoyl-[acyl...

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Veröffentlicht in:	Scientia pharmaceutica Jg. 89; H. 2; S. 20
Hauptverfasser:	Pitaloka, Dian Ayu Eka, Ramadhan, Dwi Syah Fitra, Arfan, Chaidir, Lidya, Fakih, Taufik Muhammad
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Basel MDPI AG 01.06.2021
Schlagworte:	Amino acids Binding sites Drug resistance dynamic simulation Enzymes Fatty acids Flavonoids Hydrogen bonds isoniazid Ligands Multidrug resistant organisms multidrug-resistant tuberculosis Principal components analysis Proteins quercetin Simulation Solvents Tuberculosis virtual screening
ISSN:	2218-0532, 0036-8709, 2218-0532
Online-Zugang:	Volltext
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