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.
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.
Ogurtsova K, Rocha JD, Huang Y, Linnenkamp U, Guariguata L. 2019. IDF Diabetes Atlas :
Global estimates for the prevalence of diabetes for 2015 and 2040. Diabetes Res Clin
Wild S, Roglic G, Green A, Sicree R, King H. 2004. Global Prevalence of Diabetes.27(5).
Care D, Suppl SS. 2 . 2018. Classi fi cation and Diagnosis of Diabetes : Standards of
Medical Care in Diabetes 2018.41(January):13–27.
Maltarollo VG, Araujo SC. 2015. Molecular BioSystems. Molecular docking studies and 2D
analyses of DPP-4 inhibitors as candidates in the treatment of diabetes.26.
Purnomo Y, Soeatmadji DW, Sumitro SB, Widodo MA. 2015. Anti-diabetic potential of
Urena lobata leaf extract through inhibition of dipeptidyl peptidase IV activity. Asian Pac J
Trop Biomed [Internet].1–5.
Sharma A, Paliwal G, Upadhyay N, Tiwari A. 2015. Therapeutic stimulation of GLP-1 and
GIP protein with DPP-4 inhibitors for type-2 diabetes treatment.1–8.
Marliani L, Juanda D, Rubianto A. 2013. Isolation of Antioxidant Compounds from Ethanol
Extract of Temu Kunci ( Boesenbergia pandurata Roxb .) Rhizomes.XXXVIII (754):48–
Watanabe YS, Yasuda Y, Kojima Y, Okada S, Motoyama T, Takahashi R. 2015.Anagliptin ,
a potent dipeptidyl peptidase IV inhibitor : its single-crystal structure and enzyme
interactions. J Enzyme Inhib Med Chem [Internet].1–8.
Huey R, Morris GM. 2006. Using AutoDock with AutoDockTools : A Tutorial.