KANDUNGAN SENYAWA SAMBILOTO DAN JAHE TERHADAP PROTEIN TARGET COVID-19 MENGGUNAKAN DOCKING MOLEKULER

Abstract

The corona virus that became pandemic in 2020 or well known as covid- 19 is not a new virus of the family but is still family of SARS virus (Zhu et al. 2020). The use of plants is an alternative for treatment such as the content of ginger as an antiviral (Chang et al. 2013), while sambiloto extract is capable of being an immunostimulant and as an antiviral (Churiyah et al. 2014). So that this study aims to find the potential for ginger and sambiloto compounds to interact with the proteins from corona, namely 3Clpro and Plpro and evaluate the pharmacokinetic parameters of selected compounds. Using the docking molecular method with autodock software with test ligands of 17 compounds in Ginger Asamenew et al. (2019) and 16 sambiloto compounds in the research of Kumar et al. (2018). Results are selected taking into account the lowest binding energy and num in clus. The results were continued by observing the ligand-protein interaction using Discovery and proteinplus, then the compound was carried out by pharmacokinetic predictions with ADMETLab. The results of the docking process found 16 compounds from ginger and sambiloto have a role in interacting with the target protein. The compounds from ginger and sambiloto to interact with the 3Clpro protein have the same interaction with the original ligand while the Plpro protein only 5,8,2'- Trihydroxy-7-Methoxyflavone from sambiloto because of the type of interaction that is similar to the original ligand. The compounds for the pharmacokinetic prediction of the selected compounds found mixed results but the best compounds were 6-gingerol from ginger and Androgpraholide from Sambiloto because of their potency. Keyword : Covid-19, ginger, sambiloto, docking DOI