List of 50 compounds obtained after virtual screening from the Human Serum Metabolome Database (HSMD) containing 4,651 compounds (and their involvement in calcification related mechanism) in open conformation model, by using the docked reference substrate molecules’ mean binding energy (-8.5 Kcal/m

Validations of the best 50 compounds were done by docking in closed conformation to see the possible good affinity with the model. S.: serial number; Acc. No.: accession number; Kcal: Kilocalory, HMDB: human metabolome database; ABC: ATP-binding cassette transporter; VSMCs: vascular smooth muscle cells; ECM: extra cellular matrix; NA: not available.