Evaluasi Interaksi Tiga Dimensi Inhibitor Glikogen Fosforilase (3Cem) Menggunakan Vina Dan Autodock

Abstract

Glycogen phosphorylase is a target in the treatment of diabetes type 2. The high-potential drug compounds as inhibitors of glycogen phosphorylase and use of target proteins 3CEM. Docking using a set of Acer brand laptop with intel core i3 processors and 2GB of RAM with Windows 7 32-bit operating system. Used active compound and the ligand decoys comparison obtained from www.dekois.com, AVD as native ligand, drug compounds CHEMBL1234956, SCHEMBL8180780, SCHEMBL7680418, CP-91149 and test novel Zerumbone b3lyp. The results showed binding affinity of the drug compounds 2 approaches the native ligand binding affinity by methods Vina is -12.4 kcal/mol, and test novel Zerumbon showed that binding affinity lower than native ligan‟s but the similarity ±85,7%. From these results indicate that Zerumbone has anti-diabetic activity. Further research must be carried out in the laboratory to validate and prove the activity of Molecular Docking Reverse approach(RMD).