Universitas Indonesia Conferences, 1st International Conference on Advance Pharmacy and Pharmaceutical Sciences

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Virtual Screening of Indonesian Herbal Database as DNA Methyltransferase (DNMT) Inhibitor
I Gusti Ngurah Raka Bhaskara Wilaputraka

Last modified: 2016-10-18


DNA Hypermethylation is an abnormal epigenetic process catalyzed by DNA Methyltranferase 1 (DNMT1), it is also one of the factor that cause non-communicable disease such as cancer, diabetes, and other metabolic disease. DNA Hypermethylation can be reversed by suppressing DNMT1 activity using DNA Methyltransferase inhibitor (DNMTi). This study was conducted to obtain inhibitor candidate from natural products. The search for potential inhibitors was done by conducting a virtual screening against Indonesian Herbal Compound Database (Herbal DB) utilizing Autodock Vina as docking software. Twenty-five compunds known for their inhibitory activity against DNMT1 were used as actives and as reference for generating decoys, facilitated by Directory of Useful Decoys-Enhanced (DUD-E). The virtual screening yields five potential DNMT1 inhibitor, Procyanidin B2, Ent-epicatechin-4alpha-8-ent-epicatechin, Epicatechin-4beta-8-epicatechin-3-o-gallate, Neorhusflavanone, and Cyanidin-3-6''-caffeylsophoroside-5-glucoside.