Natural flavonoids in delonix regia leaf as an antimycobacterial agent: An in silico study

نویسندگان

چکیده

Multi-drug resistant (MDR) and extensively-drug (XDR) as a result of continuous use antibiotics encourage the development new antimycobacterial drugs. In this study, 13 flavonoid compounds from flamboyant leaf plant were studied for their inhibitory properties MtKasA, MtDprE, MtPank which are significant enzymes in Mycobacterium tuberculosis, well molecular docking, dynamics, prediction ADMET-drug likeness. The results docking studies revealed that compound F13 (Apigenin) was most potent because it able to bind amino acids indicated by native ligand each enzyme. Molecular dynamics showed forms stable complex with MtKasA. ADMET-Drug Likeness analysis concluded promising compound. Overall, has potential be used treatment therapy against tuberculosis.

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ژورنال

عنوان ژورنال: Journal of The Serbian Chemical Society

سال: 2023

ISSN: ['1820-7421', '0352-5139']

DOI: https://doi.org/10.2298/jsc220913045t