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25 Apr 2024 (Vol 47 , Iss 04 )

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30 Apr 2024 (Vol 47 , Iss 04 )

Journal ID : TMJ-16-01-2022-11003
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Title : Emodin from Rhubarb (Rheum officinale Baill.) as An Antiviral against SARS-CoV-2 via Inhibitor Pathway: An In Silico Study

Abstract :

Coronavirus 2019 (COVID-19) is a respiratory disease that was first detected in Wuhan, China in December 2019 and spread throughout the world. This disease is caused by Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). This study aimed to determine the potential of the rhubarb emodin compound (Rheum officinale Baill.) as an anti-SARS-CoV-2 via computational study. Sample collections were taken from PubChem and PDB databases. Sterilization is conducted using AutoDock and Notepad++. Molecular docking was performed using PyRx. Data visualized performed using PyMol and LigPlot+. Rhubarb emodin (R. officinale Baill.) has a binding affinity value of -7.6 kcal/mol and an RMSD value of 0. The result showed that emodin has the potential as an inhibitor of the 3CLpro activity of SARS-CoV-2. However, the results obtained are computational predictions, so further validation is needed in a wet laboratory study.

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