GPR119 Promising Ligands: A Computational Analysis of New Strategies Against Type 2 Diabetes Mellitus
摘要
For the multifactorial disease Type 2 diabetes mellitus (T2DM), the main risk factors include aging, a sedentary lifestyle, inadequate diets, and obesity. It is recognized as a chronic metabolic syndrome, and has shown a steady increase in prevalence since the 1990s. Therefore, we performed two- and three-dimensional structural analyses of GPR119 using four PDB structures. G protein-coupled receptor 119 (GPR119) is considered a promising pharmacological target. Then, we used molecules with activity described in the literature with GPR119 for the prediction of pharmacokinetic and toxicological descriptors (ADMET). Docking study of these molecules were calculated with the crystallographic structures of GPR119 to analyze the interaction pattern with key residues. The data obtained from ADMET and docking of these studied molecules were correlated using the heatmap technique.