Cheminformatics-based selection and synergism of herbal extracts with anticancer agents on drug resistance tumor cells-ACHN and A2780/CP cell lines

► These herbal extracts have been selected on the basis of novel cheminformatics methodology and assayed for the first time. ► Results introduce selectivity effect of extract in inducing cytotoxicity on cancerous cell lines with synergistic effect. ► The findings confirmed that in silico predictions can bring to use the effects of these herbs in reversing of MDR phenomenon.