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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 …
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 …
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
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 …
(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 …
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
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 …
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
In the present contribution, multicomplex‐based pharmacophore studies were carried out on
the structural proteome of Plasmodium falciparum 1‐deoxy‐d‐xylulose‐5‐phosphate …
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
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 …
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
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 …
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
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 …
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
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 …
anti-tubercular drugs is required as resistant strains of M. tuberculosis to various first-line …