Kajian Docking Molekular Pada Binding Site Pocket Dari Flavopiridol Dalam Menghambat Glikogen Fosforilase Menggunakan Pyrx-Autodock-Vina

Abstract

nhibition of the enzyme glycogen phosphorylase which break down glycogen into glucose 1- phosphate (glycogenolysis) is a target in the treatment of type 2 diabetes milletus. Interaction mechanism between glycogen phosphorylase with flavopiridol studied with molecular docking method for efficiently. Molecular docking use a set of brand ACER laptop with Intel Core i3 processor, 2GB RAM and VGA Intel (R) HD Graphics 3000 operating system windows 7 32bit. Software PyRx-Autodock-Vina, Chimera, MarvinSketch, MarvinSpace, PyMOL and Protein Ligand Interaction Profiler (PLIP) were used. Molecular docking involves 1c8k target protein, active compound, 100 decoys compound from www.dekois.com, CPB native ligand, active compound that has been marketed, drug compounds c21h20CINO5 (UNII-DRP53ZDY6H), ROHITUKINE, RIVICICLIB, and C21H20CLNO4 (CHE48614). Docking results obtained from the four drug compounds that were tested had the ability molecular interactions better as glycogen phosphorylase inhibitor than the native ligand of the target protein 1C8K so that it can be further developed in the laboratory in vitro and in vivo, similarity between the nature of the native ligand ( 1c8k ) with best novel ( test ligand ) , when seen from the value of binding affinity zer on novel compounds showed greater potency than the native ligand as an antidiabetic