Journal
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
Volume 168, Issue -, Pages 474-485Publisher
ELSEVIER
DOI: 10.1016/j.ijbiomac.2020.12.020
Keywords
Cannabinols; In vitro antiviral assay; SARS-CoV-2 and M-pro enzyme
Funding
- Korea Institute of Science and Technology (KIST) institutional program [2Z06260, 2V08900]
- Korea Institute of Planning and Evaluation for Technology in Food, Agriculture, and Forestry (IPET) through the Innovational Food Technology Development Program - Korean Ministry of Agriculture, Food and Rural Affairs (MAFRA) [119034-3]
- Priority Research Centers Program through the National Research Foundation (NRF) of Korea - Korean Ministry of Education [2014R1A6A1031189]
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This study evaluated the antiviral activity of cannabinoids (CBDs) against SARS-CoV-2 and found that two CBDs molecules, cannabidiol and Delta(9)-tetrahydrocannabinol, may be more potent antiviral molecules against the virus compared to some reference drugs. They could be potential options for treating COVID-19 patients.
Effective treatment choices to the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) are limited because of the absence of effective target-based therapeutics. The main object of the current research was to estimate the antiviral activity of cannabinoids (CBDs) against the human coronavirus SARS-CoV-2. In the presented research work, we performed in silico and in vitro experiments to aid the sighting of lead CBDs for treating the viral infections of SARS-CoV-2. Virtual screening was carried out for interactions between 32 CBDs and the SARS-CoV-2 M-pro enzyme. Afterward, in vitro antiviral activity was carried out of five CBDs molecules against SARS-CoV-2. Interestingly, among them, two CBDs molecules namely Delta(9)-tetrahydrocannabinol (IC50 = 10.25 mu M) and cannabidiol (IC50 = 7.91 mu M) were observed to be more potent antiviral molecules against SARS-CoV-2 compared to the reference drugs lopinavir, chloroquine, and remdesivir (IC50 ranges of 8.16-13.15 mu M). These molecules were found to have stable conformations with the active binding pocket of the SARS-CoV-2 M-pro by molecular dynamic simulation and density functional theory. Our findings suggest cannabidiol and Delta(9)-tetrahydrocannabinol are possible drugs against human coronavirus that might be used in combination or with other drug molecules to treat COVID-19 patients. (c) 2020 Published by Elsevier B.V.
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