Abstract
Objective: The study aims to perform molecular docking to examine the interaction between propolis compound and SARS-CoV-2 main protease.
 Methods: The protein target of this research was the crystal structure of SARS-CoV-2 main protease in complex with an inhibitor N3 (PDB ID: 6LU7). The ligand of this research was the bioactive compounds from Propolis of Tetragonula aff. biroi. 
 Results: The results showed that propolis compound which has the potential to inhibit SARS-CoV-2 protease activity was Sulabiroins A (binding affinity-8.1 kcal/mol), following by (2S)-5,7-dihydroxy-4'-methoxy-8-prenylflavanone acid and broussoflavonol F (binding affinity-7.9 kcal/mol) with binding similarity more than 50% compared to N3-main protease interaction.
 Conclusion: Molecular docking showed propolis compounds of Tetragonula aff. biroi potential to inhibit SARS-CoV-2 main protease activity. The highest binding affinity presented by Sulabiroins A, following by (2S)-5,7-dihydroxy-4'-methoxy-8-prenylflavanone acid and broussoflavonol F, with values of-8.1 kcal/mol,-7.9 kcal/mol, and-7.9 kcal/mol, respectively, with binding similarity more than 50% compared to N3 and SARS-CoV-2 main protease interaction.
Highlights
In late December 2019, there was a severe respiratory disease outbreak in Wuhan, China
This study focused on identifying propolis compounds of Tetragonula aff. biroi that targeted the main protein (Mpro) of SARSCoV-2
From several main protease structures which available at Protein Data Bank, PDB ID 6LU7 was chosen in this research because it has native ligand N3 that bind to the substrate-binding pocket of SARS-CoV-2 main protease
Summary
In late December 2019, there was a severe respiratory disease outbreak in Wuhan, China. Based on WHO’s data, almost 15.3 million cases had been reported as of 24th July 2020 around the world and the amount increases every day. This disease namely coronavirus disease 2019 (COVID-19). In 2003, there was associated case, namely severe acute respiratory syndrome (SARS-2003), caused by another betacoronavirus. Another case related coronavirus was Middle East Respiratory Syndrome (MERS) in 2012. Both SARS-2003 and MERS were caused by coronavirus, the difference was the objects which transmitted the virus. SARS was transmitted from exotic animals in wet markets to humans, whereas MERS is transmitted to humans from camels [2]
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