The objective of the current study is to evaluate the lipoxygenase inhibitory activity of flavonoids using in silico docking studies. In this perspective, flavonoids like Biochanin, Isorhamnetin, Tricetin, Tricin, and Okanin were selected. Azelastine, a known lipoxygenase inhibitor was used as the standard. In silico docking studies were carried out using AutoDock 4.2, based on the Lamarckian genetic algorithm principle. Three important parameters like binding energy, inhibition constant and intermolecular energy were determined. The results showed that all the selected flavonoids showed lesser binding energy ranging between -3.77 kcal/mol to -3.07 kcal/mol when compared with that of the standard (-3.72 kcal/mol). Intermolecular energy (-4.96 kcal/mol to -4.86 kcal/mol) and inhibition constant (1.73 mM to 5.64 mM) of the ligands also coincide with the binding energy. All the selected flavonoids consist of benzopyran ring in its basic nucleus, which would have contributed to its lipoxygenase inhibitory activity. These molecular docking analyses could lead to the further development of potent lipoxygenase inhibitors for the treatment of inflammation.
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