Developing new treatments for covid-19 through dual-action antiviral/anti-inflammatory small molecules and physiologically based pharmacokinetic modeling

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SUMMARY

    In the same direction, using molecular docking studies, Joshi et_al, identified natural molecules such as δ-viniferin, myricitrin, taiwanhomoflavone A, lactucopicrin 15-oxalate, nympholide A, afzelin, biorobin, and phyllaemblicin B as potential inhibitors of SARS-CoV2 MPro. Khan et_al, using molecular docking and molecular dynamics simulation studies, targeted chymotrypsin-like protease (3CLpro). FDAapproved antimicrobial drugs were also screened using a combined approach of molecular docking and molecular dynamics simulation by Mahanta et_al, proposing, from the results, viomycin as a potential inhibitor of SARS-CoV-2 Mpro. Likewise, Arun et_al,generated an E- 14 of 23 . . .

     

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