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10.1080/07391102.2020.1834457 http://scihub22266oqcxt.onion/10.1080/07391102.2020.1834457 33073712!7594188!33073712     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=33073712&cmd=llinks): Failed to open stream: HTTP request failed! 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Structural basis for the inhibition of SARS-CoV2 main protease by Indian medicinal plant-derived antiviral compounds |pdf=|usr=}}{{33073712}} gab.com Text Structural basis for the inhibition of SARS-CoV2 main protease by Indian medicinal plant-derived antiviral compounds JO: J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33073712 #FOAvip A novel coronavirus (SARS-CoV2) has caused a major outbreak in humans around the globe, and it became a severe threat to human healthcare than all other infectious diseases. Researchers were urged to discover and test various approaches to control and prevent such a deadly disease. Considering the emergency and necessity, we screened reported antiviral compounds present in the traditional Indian medicinal plants for the inhibition of SARS-CoV2 main protease. In this study, we used molecular docking to screen 41 reported antiviral compounds that exist in Indian medicinal plants and shown amentoflavone from the plant Torreyanucifera with a higher docking score. Furthermore, we performed a 40 ns atomic molecular dynamics simulation and free binding energy calculations to explore the stability of the top five protein-ligand complexes. Through the article, we insist that the amentoflavone, hypericin and Torvoside H from the traditional Indian medicinal plants may be used as a potential inhibitor of SARS-CoV2 main protease and further biochemical experiments could shed light on understanding the mechanism of inhibition by these plant-derived antiviral compounds.Communicated by Ramaswamy H. Sarma. Twit Text FOAVip Structural basis for the inhibition of SARS-CoV2 main protease by Indian medicinal plant-derived antiviral compounds ????J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33073712 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33073712 #FOAvip English Wikipedia <ref>{{Cite pmid|33073712}}</ref> Structural basis for the inhibition of SARS-CoV2 main protease by Indian medicinal plant-derived antiviral compounds #MMPMID33073712 Saravanan KM; Zhang H; Senthil R; Vijayakumar KK; Sounderrajan V; Wei Y; Shakila H J Biomol Struct Dyn 2022[Mar]; 40 (5): 1970-1978 PMID33073712show ga A novel coronavirus (SARS-CoV2) has caused a major outbreak in humans around the globe, and it became a severe threat to human healthcare than all other infectious diseases. Researchers were urged to discover and test various approaches to control and prevent such a deadly disease. Considering the emergency and necessity, we screened reported antiviral compounds present in the traditional Indian medicinal plants for the inhibition of SARS-CoV2 main protease. In this study, we used molecular docking to screen 41 reported antiviral compounds that exist in Indian medicinal plants and shown amentoflavone from the plant Torreyanucifera with a higher docking score. Furthermore, we performed a 40 ns atomic molecular dynamics simulation and free binding energy calculations to explore the stability of the top five protein-ligand complexes. Through the article, we insist that the amentoflavone, hypericin and Torvoside H from the traditional Indian medicinal plants may be used as a potential inhibitor of SARS-CoV2 main protease and further biochemical experiments could shed light on understanding the mechanism of inhibition by these plant-derived antiviral compounds.Communicated by Ramaswamy H. Sarma. |*COVID-19 Drug Treatment[MESH] |*Plants, Medicinal[MESH] |Antiviral Agents/pharmacology[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Peptide Hydrolases[MESH] |Protease Inhibitors/pharmacology[MESH] |RNA, Viral[MESH]Structural basis for the inhibition of SARS-CoV2 main protease by Indi(epmc).pdf DeepDyve Pubget Overpricing