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Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Int+J+Biol+Macromol 2021 ; 168 (ä): 474-485 Nephropedia Template TP
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Assessment of antiviral potencies of cannabinoids against SARS-CoV-2 using computational and in vitro approaches #MMPMID33290767
Raj V; Park JG; Cho KH; Choi P; Kim T; Ham J; Lee J
Int J Biol Macromol 2021[Jan]; 168 (ä): 474-485 PMID33290767show ga
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 (IC(50) = 10.25 muM) and cannabidiol (IC(50) = 7.91 muM) were observed to be more potent antiviral molecules against SARS-CoV-2 compared to the reference drugs lopinavir, chloroquine, and remdesivir (IC(50) ranges of 8.16-13.15 muM). 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.