Structure-Based Design and in Silico Screening of Virtual Combinatorial Library of Benzamides Inhibiting 2-trans Enoyl-Acyl Carrier Protein Reductase of <i>Mycobacterium tuberculosis</i> with Favorable Predicted Pharmacokinetic Profiles

Structure-Based Design and in Silico Screening of Virtual Combinatorial Library of Benzamides Inhibiting 2-trans Enoyl-Acyl Carrier Protein Reductase of <i>Mycobacterium tuberculosis</i> with Favorable Predicted Pharmacokinetic Profiles

Background: During the previous decade a new class of benzamide-based inhibitors of 2-trans enoyl-acyl carrier protein reductase (InhA) of Mycobacterium tuberculosis (Mt) with unusual binding mode have emerged. Here we report in silico design and evaluation of novel benzamide InhA-Mt inhibitors with...

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Bibliographic Details
Main Authors: Koffi Charles Kouman, Melalie Keita, Raymond Kre N’Guessan, Luc Calvin Owono Owono, Eugene Megnassan, Vladimir Frecer, Stanislav Miertus
Format: Article
Language:English
Published: MDPI AG 2019-09-01
Series:International Journal of Molecular Sciences
Subjects:
Tuberculosis
N-benzyl-4-((heteroaryl)methyl)benzamides
2-trans enoyl-acyl carrier protein reductase
molecular modeling
QSAR models
pharmacophore
combinatorial library
in silico screening
ADME properties prediction
Online Access:https://www.mdpi.com/1422-0067/20/19/4730

Internet

https://www.mdpi.com/1422-0067/20/19/4730

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