An in silico study on Antidiabetic activity DPP-IV inhibitors and bioactive compounds Boesenbergia pandurata Roxb
Keywords:
In Silico, Dipeptidyl peptidase IV, Beosenbergia pandurata Roxb, GLP-1, Diabetes mellitus, molecular docking.Abstract
Diabetes type 2 is a disease caused by a metabolic disorder. One of treatment of type 2 diabetes mellitus is focused on incretin hormone. Glucagon like peptide – 1 (GLP-1) is a insulintropic agent and plays a role in regulation of blood glucose. GLP-1 interacts with GLP-1R so the blood sugar level increases. DPP – IV is inhibitor are important biological target related for the treatmen of type 2 diabetes mellitus. DPP-IV inhibitor from drug synthetic have some side effect therefore develop natural DPP-IV inhibitor by in silico approaches. This research is study molecular interaction between DPP – IV inhibitor drug synthetic on the market was sitagliptin, vildagliptin, saxagliptin, anagliptin and alogliptin with compare bioactive ligan from Boesenbergia pandurata Roxb such as alipinetin, pinocembrin, pinostrobin, cardamonin, panduratin. The metodology used in the research is molecular docking using docking software. The results showed that DPP – IV inhibitor with vildagliptin had the best binding energy 15.49 Kcal/mol and torsional energy 19.69. Based on the analysis of docking in silico DPP-IV inhibitors with active compound Boesenbergia pandurata Roxb has binding energy 2.39 Kcal/mol and torsional energy 5.5 and can be used as an antidiabetic drug candidate.
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