Anti-TB evaluation of novel 2,3-dihydroquinazolin-4(1 H )-ones and in silico studies of the active compounds

MEDICINAL CHEMISTRY RESEARCH(2021)

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Abstract
In vitro anti-tubercular activity of a series of 15 novel 2,3-dihydroquinazolin-4(1 H )-one analogues were evaluated against Mycobacterium tuberculosis H 37 Ra (ATCC 25177 strain). Among the series, seven compounds showed moderate to good anti-TB activity with minimum inhibitory concentration (MIC) values ranging from 25.0–12.5 μ g/mL. Further, in silico experiments were carried out to identify the probable ligand-protein interaction. Molecular docking of the target compounds into the active site of enzymes 1DQY Antigen 85C from Mycobacterium Tuberculosis and 2NSD Enoyl Acyl Carrier Protein Reductase reveals notable information on the possible binding interactions.
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Key words
Tuberculosis, Anti-tubercular activity, 2, 3-Dihydroquinazolin-4(1H)-ones, Molecular docking
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