Multi-drug resistant (MDR) and extensively-drug resistant (XDR) as a result
of continuous use of antibiotics encourage the development of new
antimycobacterial drugs. In this study, 13 flavonoid compounds from the
flamboyant leaf plant were studied for their inhibitory properties of
MtKasA, MtDprE, and MtPank which are significant enzymes in Mycobacterium
tuberculosis, as well as for their molecular docking, molecular dynamics,
and prediction of ADMET-drug likeness. The results of molecular docking
studies revealed that compound F13 (Apigenin) was the most potent compound
because it was able to bind the most amino acids as indicated by the native
ligand of each enzyme. Molecular dynamics studies showed that compound F13
forms a stable complex with MtKasA. The results of the ADMET-Drug Likeness
analysis concluded that compound F13 was the most promising compound.
Overall, compound F13 has the potential to be used as a treatment therapy
against Mycobacterium tuberculosis.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.