Pharmacoinformatics based screening of combined synthetic and natural compounds to identify novel and in silico potential Bcl-2 inhibitors

•Combined synthetic and natural compounds reported as Bcl-2 inhibitors were applied to generate pharmacophore and QSAR model.•ZINC database was screened to identify molecules with similar chemical features and predicted pIC50 from QSAR equation.•Docking, MD simulations with MM-PBSA calculations were performed to identify in silico potential Bcl-2 inhibitors.•Study identified ZINC07405677, ZINC41435991, ZINC71943283 and ZINC95430809 as potential hit molecules for cancer.