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

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Virtual Screening of Indonesian Herbal Database as Sirtuin1 Activator Using Docking Method
Olivia Aldisa Yudhistira, Olivia Aldisa Yudhistira

Last modified: 2016-11-02


Chemical compounds in plants often have benefits and efficacy that can be useful for medicine. Biochemistry and medicinal chemistry research aims to innovate new medicine for degenerative human diseases such as cancer, cardiovascular diseases, and diabetes mellitus. Human have protein that are key of metabolic sensors in a variety of metabolic pathways, Sirtuin1 (SIRT1). Currently, only resveratrol, fisetin and quercetin that are compounds from natural ingredients that have been tested as an activator of SIRT1 even though there are many chemical compounds in plants that potentially can be SIRT1 activator. There are four crystal forms which act as a SIRT1 activator, 4ZZH, 4ZZI, 4ZZJ, and 5BTR. In this study, we employed docking of new molecular compounds from Indonesian herbal database as SIRT1 activator. Virtual screening was done using AutoDock Vina. AutoDock Vina was validated beforehand in order to obtain the best grid box, based on this research, the best grid box for AutoDock Vina is 60x60x60. Top ten ranked compounds were obtained for each crystal form and four the same compounds of the four crystal forms that were Alpha-carotene, Cassiamin C, Casuarinin, and Lutein. Keywords : SIRT1 activator, Indonesian natural product, docking, virtual screening