P-ISSN 2587-2400 | E-ISSN 2587-196X
EJMO Volume : 4 Issue : 3 Year : 2020
EJMO. 2020; 4(3): 196-200 | DOI: 10.14744/ejmo.2020.36102

IN Silico Approach of Some Selected Honey Constituents as SARS-CoV-2 Main Protease (COVID-19) Inhibitors

Heba E. Hashem1
1Department of Chemistry, Ain Shams University, Faculty of Women, Heliopolis, Cairo, Egypt

Objectives: The huge attack of coronavirus disease 2019 (COVID-19) over all the world forces the researcher around the world to study the crystal structure of the main protease Mpro (3-chymotrypsin-like cysteine enzyme) which is the essential enzyme for coronavirus processing the polyproteins and its life cycles. And by the way, the inhibition of this enzyme active site becomes the target of all scientists of drug discovery in order to overcome this disease. Methods: In this study, we have used the molecular modeling approach to evaluate the activity of different active compounds from honeybee and propolis to inhibit the presented sars-cov-2 main protease via Schrödinger Maestro v10.1. Results: The presented study resulted in six main compounds possess high binding energy with the receptor active site of COVID-19 main protease. Conclusion: We hope this study being the way for honeybee constitution as an effective ligand for sars-cov-2 main protease inhibition and be in the medicinal study of anti-COVID-19 therapeutic drugs. Keywords: Honeybee, Molecular docking, Mpro inhibition, propolis, SARS-CoV-2, Structure activity relationship (SAR)


Cite This Article

Hashem H. IN Silico Approach of Some Selected Honey Constituents as SARS-CoV-2 Main Protease (COVID-19) Inhibitors. EJMO. 2020; 4(3): 196-200

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