# Identifying propolis compounds potential to be covid-19 therapies by targeting sars-cov-2 main protease
> Dewi L.K.

URL kanonis: https://discover.unhas.ac.id/publications/identifying-propolis-compounds-potential-to-be-covid-19-therapies-by-targeting-s
Jurnal / Konferensi: International Journal of Applied Pharmaceutics
Tahun terbit: 2021
DOI: https://doi.org/10.22159/ijap.2021.v13s2.20
ISSN: 09757058
Kuartil SJR: Q3
Citations: 18

## Authors
- Dewi L.K.

## 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.

## Keywords
- Protease
- Propolis
- Docking (animal)
- Chemistry
- Protein Data Bank (RCSB PDB)
- Enzyme
- AutoDock
- Stereochemistry
- Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)
- Binding site
- Coronavirus disease 2019 (COVID-19)
- Biochemistry
- Food science
- Medicine
- Pathology
- Infectious disease (medical specialty)
- Nursing
- In silico
- Gene
- Disease

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Sumber: Discover Unhas — RIMS Universitas Hasanuddin.
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