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Abstract
In vitro anti-tubercular activity of a series of 15 novel 2,3-dihydroquinazolin-4(1H)-one analogues were evaluated against Mycobacterium tuberculosis H37Ra (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 μg/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.
Highlights
Tuberculosis (TB) a communicable disease, spreads through air droplets containingM. tuberculosis bacilli
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
TB is treated with a combination of 1st line anti-TB agents, viz. Isoniazid, Rifampicin, Ethambutol and Pyrazinamide
Summary
Tuberculosis (TB) a communicable disease, spreads through air droplets containing. The drug susceptible disease is cured after a 6 months long treatment under DOTs (Directly observed treatment) Program recommended by WHO. The present regimens of TB treatment have many drawbacks such as long treatment duration with drugs that are reported to cause organ toxicity and noncompliance to treatment [1,2]. This may result in the development of drug resistance. To improve the current regimens of TB, medicinal chemists are trying to design and synthesize new drug molecules that may overcome these shortcomings
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