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10.1016/j.ijbiomac.2020.12.020

http://scihub22266oqcxt.onion/10.1016/j.ijbiomac.2020.12.020
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33290767!7836687!33290767
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suck abstract from ncbi


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pmid33290767      Int+J+Biol+Macromol 2021 ; 168 (ä): 474-485
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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.
  • |*COVID-19 Drug Treatment[MESH]
  • |Antiviral Agents/chemistry/pharmacokinetics/*pharmacology[MESH]
  • |COVID-19/*virology[MESH]
  • |Cannabidiol/chemistry/pharmacokinetics/pharmacology[MESH]
  • |Cannabinoids/chemistry/pharmacokinetics/*pharmacology[MESH]
  • |Computer Simulation[MESH]
  • |Coronavirus 3C Proteases/antagonists & inhibitors/chemistry/drug effects[MESH]
  • |Dronabinol/chemistry/pharmacokinetics/pharmacology[MESH]
  • |Drug Evaluation, Preclinical[MESH]
  • |Humans[MESH]
  • |In Vitro Techniques[MESH]
  • |Ligands[MESH]
  • |Models, Biological[MESH]
  • |Molecular Docking Simulation[MESH]
  • |Molecular Dynamics Simulation[MESH]
  • |Pandemics[MESH]
  • |Protease Inhibitors/chemistry/pharmacology[MESH]


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