In silico and in vitro cytotoxicity profile of hydroalcoholic extract/ fraction(s) of Pachygone ovata

ABSTRACT

Medicinal plants have been used in the past for the treatment of diseases and continue to be an important reservoirfor the development of new drugs. With the increasing burden of cancer globally, there is a need to find neweranticancer agents. The process of identification and evaluation of cytotoxic molecules from plants can be achievedconveniently by using simple yet reliable screening models and combining with in silico techniques. Pachygone ovata,least explored plant from Menispermaceae family, is known to be rich in alkaloids. This study aimed to identify thecytotoxic constituents from Pachygone ovata through bioactivity-guided fractionation using Brine shrimp lethalitybioassay as a screening model. The active fraction in this assay was evaluated for its in vitro cytotoxic activity onhuman tumor cell lines. Some reported alkaloids were studied for their binding affinities with topoisomerase II bymolecular docking. The study revealed the cytotoxic constituents from P. ovata. The study also revealed alkaloids withhigher binding affinity with topoisomerase II, and the scope for further use leads to the development of new drugs.