Studi In Silico Senyawa Bahan Alam Yang Berpotensi Sebagai Antivirus Covid-19

NESIMNASI, Shania Ayoriani (2020) Studi In Silico Senyawa Bahan Alam Yang Berpotensi Sebagai Antivirus Covid-19. Undergraduate thesis, Unika Widya Mandira.

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Abstract

This study aims to identify and identify compounds of natural ingredients that have antiviral properties of Covid-19, as an effort to inventory compounds of natural ingredients that are effective in preventing and overcoming public health problems caused by thevirus. Severe Acute Respiratory SyndromeCoronavirus 2 (SARS-CoV-2). The research method used is in silico, which is a computational method for predicting the interaction of two molecules to create a binding model between molecules. The program used in this research is Autodock Vina. The results showed that the active compound Mpro / 3CLpro receptor could inhibit viral infection and had thevalue, binding affinity smallestnamely Amentoflavone and Taiwanhomoflavone A compounds with a value of -9.7 kcal / mol. Catechin Gallate compounds are also known to have avalue binding affinity of -9.1 kcal / mol. At thereceptor, the spike glycoprotein compound with the binding affinity was smallest Withaferin A with a value of -8.0 kcal / mol. At the ACE2 receptor, compounds that can inhibit viral infections are Amentoflavone, Catechin Gallate, Epicatechin gallate, Lactucopicrin 15-Oxalate, Nelfinavir, Rosmanol, Silibin, Withaferin A, and Taiwanhomoflavone A with a binding affinity value of -8.0 to -8.9 kcal / mol.

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