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

Abstract

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 M pro (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. 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. the presented study resulted in six main compounds possess high binding energy with the receptor active site of COVID-19 main protease. 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.

Antiviral and Immunomodulatory Effects of Phytochemicals from Honey against COVID-19: Potential Mechanisms of Action and Future Directions

“…On April 13, 2020, an exciting preprint was posted on ChemRxiv by Heba Hashem, where the author had conducted an in silico analysis (molecular docking) to assess the potential effects of natural phenolic chemical compounds from honey against SARS-COV-2 [ 105 ]. Heba suggested that caffeic acid, caffeic acid phenethyl ester (CAPE), galangin, and chrysin have good potential to inhibit the viral 3-chymotrypsin-like cysteine protease (3CL pro ) enzyme, and thus inhibit viral replication [ 105 ]. The overall concept of this hypothesis is extensively explained in Figure 7 .…”

Micronutrients, Non-Nutrients and Mediterranean Diet: A Potential Protective Role Against COVID-19 through Modulation of PAF Actions and Metabolism

“…Honey has anti-bacterial properties thanks to its content of phenolic compounds, the production of hydrogen peroxide and other mechanisms such as osmosis [173]. Moreover, it has been suggested to have a role against COVID-19 epidemic [174,175], it has six compounds with affinity with the receptor active site of COVID-19 main protease according to a in silico approach [176] and is currently being tested in a clinical trial (clinical trial NCT04323345) [176]. It is noted that honey displays anti-thrombotic activity [177] and it especially acts as a PAF inhibitor [178].…”

New Insights Into Potential Benefits of Bioactive Compounds of Bee Products on COVID-19: A Review and Assessment of Recent Research

“…Interestingly, honeybee products have been used in treatment of many diseases including tumor and immune-related diseases ( Yusuf et al, 2007 ; Wieckiewicz et al, 2013 ). In this regard, honey, propolis, Bee pollen and Bee venom created by bees possess many biological activities like antibiotic, antifungal, antioxidant, antiviral, inhibitor, anti-cancer, and immunomodulatory, hepatoprotective effects ( Banskota et al, 2001 ; Tolba et al, 2013 ; Pasupuleti et al, 2017 ; Hashem, 2020 ; Shaldam et al, 2020 ). The following sections include an overview about structure, pathogenesis and mechanistic activities of SARS-CoV-2 and the potential application of Bee’s products in treatment of the disease.…”