Mycobacterium enoyl acyl carrier protein reductase (InhA): A key target for antitubercular drug discovery

MS Prasad, RP Bhole, PB Khedekar, RV Chikhale - Bioorganic Chemistry, 2021 - Elsevier
Enoyl acyl carrier protein reductase (InhA) is a key enzyme involved in fatty acid synthesis
mainly mycolic acid biosynthesis that is a part of NADH dependent acyl carrier protein …

Targeting dormant phenotype acquired mycobacteria using natural products by exploring its important targets: In vitro and in silico studies

S Sharma, R Chikhale, N Shinde, AM Khan… - Frontiers in Cellular …, 2023 - frontiersin.org
The dormant phenotype of Mycobacterium tuberculosis that develops during infection poses
a major challenge in disease treatment, since these bacilli show tolerance to front-line …

Design, synthesis and anti-mycobacterial evaluation of imidazo [1, 2-a] pyridine analogues

YM Khetmalis, S Chitti, AU Wunnava… - RSC medicinal …, 2022 - pubs.rsc.org
Based on the molecular hybridization strategy, thirty-four imidazo [1, 2-a] pyridine amides
(IPAs) and imidazo [1, 2-a] pyridine sulfonamides (IPSs) were designed and synthesized …

Anti-tuberculosis therapy: Urgency for new drugs and integrative approach

L Jena, BC Harinath - Biomedical and Biotechnology Research …, 2018 - journals.lww.com
Tuberculosis (TB) remains the major health problem causing morbidity and mortality
throughout the world. Increase in multidrug resistant, extensively drug-resistant, and totally …

Identification of some novel pyrazolo[1,5-a]pyrimidine derivatives as InhA inhibitors through pharmacophore-based virtual screening and molecular docking

P Modi, S Patel, MT Chhabria - Journal of Biomolecular Structure …, 2019 - Taylor & Francis
The InhA inhibitors play key role in mycolic acid synthesis by preventing the fatty acid
biosynthesis pathway. In this present article, Pharmacophore modelling and molecular …

Identification of natural compound inhibitors against PfDXR: A hybrid structure‐based molecular modeling approach and molecular dynamics simulation studies

A Manhas, D Patel, MY Lone… - Journal of Cellular …, 2019 - Wiley Online Library
In the present contribution, multicomplex‐based pharmacophore studies were carried out on
the structural proteome of Plasmodium falciparum 1‐deoxy‐d‐xylulose‐5‐phosphate …

In search of the representative pharmacophore hypotheses of the enzymatic proteome of Plasmodium falciparum: a multicomplex-based approach

A Manhas, MY Lone, PC Jha - Molecular Diversity, 2019 - Springer
Drug resistance has made malaria an untreatable disease and therefore intensified the
need for the development of new drugs and the identification of potential drug targets. In this …

Rational approach to identify newer caspase-1 inhibitors using pharmacophore based virtual screening, docking and molecular dynamic simulation studies

S Patel, P Modi, M Chhabria - Journal of Molecular Graphics and Modelling, 2018 - Elsevier
Caspase-1 is a key endoprotease responsible for the post-translational processing of pro-
inflammatory cytokines IL-1β, 18 & 33. Excessive secretion of IL-1β leads to numerous …

Identification of InhA inhibitors: A combination of virtual screening, molecular dynamics simulations and quantum chemical studies

MY Lone, A Manhas, M Athar… - Journal of Biomolecular …, 2018 - Taylor & Francis
In the present work, multiple pharmacophore-based virtual screening of the SPECS natural
product database was carried out to identify novel inhibitors of the validated biological …

[HTML][HTML] Improving the binding affinity and interaction of 5-Pentyl-2-Phenoxyphenol against Mycobacterium Enoyl ACP reductase by computational approach

J Shawon, AM Khan, I Shahriar, MA Halim - Informatics in Medicine …, 2021 - Elsevier
Tuberculosis (TB) is one of the leading causes of death worldwide. The development of new
anti-tubercular drugs is required as resistant strains of M. tuberculosis to various first-line …