Antiproliferative evaluation and docking study of synthesized biscoumarin derivatives

Abstract

The coumarin derivatives are quite interesting objects for both synthesis and pharmacological screening. Major problems in medicine today include resistance to drugs, where a number of enzymes and receptors important for the tumour cell cycle progression may be considered as potential targets for new drugs. Presented study was aimed to evaluate in vitro antiproliferative effects of previously synthesized benzylidene-bis-(4-hydroxycoumarin) derivatives and fused benzopyranocoumarin derivatives. Compounds were tested on HeLa, SW620, MiaPaCa-2, MCF-7, HepG2 and WI-38 cell lines. The most potent compounds were subjected to molecular docking simulations in order to reveal binding modes and mechanism of interaction of synthesized compounds with target receptors. Furthermore, physicochemical properties included in Lipinski’s rule of 5 and polar surface area were calculated to determine compounds’ solubility properties and their appropriateness for oral intake in humans.