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The aim of this research wa s to study the investigational cancer drug used in inhibit ing the skin cancer responsible pro tein by In - silico analysis. The computational technique strongly supports and helps to identify the novel and more potent inhibitors through the mechanism of drug - receptor interaction . The chemical compounds were selected from the drug bank as ligand molec ule. T he structures of the target protein (PDB ID: 3SA0), were obtained from the RCSB Protein Data Bank, http://www.rcs b.org/ pdb. The protein ligand docking was performed in flexible docking. Discovery Studio is a well - known suite of software for molecular docking. It is developed and distributed by Accelrys. In the present investigation we performed an In - silico study. Ingenol Mebutate, Methyl lestosterone and Ponatinib from drug bank was used. Ligands were docked with the target receptor. The energy value s were denotes in Lib Dock Score 71.6538 KDa, 29.4515 KDa, and 118.603 KDa. |
