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10.1080/07391102.2021.1892529 http://scihub22266oqcxt.onion/10.1080/07391102.2021.1892529 33682606!ä!33682606 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Biomol+Struct+Dyn 2022 ; 40 (15): 6989-7001 Nephropedia Template TP {{tp|p=33682606|t=2022. Flavonoids as potential therapeutics against novel coronavirus disease-2019 (nCOVID-19) |pdf=|usr=}}{{33682606}} gab.com Text Flavonoids as potential therapeutics against novel coronavirus disease-2019 (nCOVID-19) JO: J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33682606 #FOAvip Since time immemorial natural products have been a great source of medicine to mankind. The anti-viral activities from several ayurvedic herbal medicines (in the form of crude extract or fraction or isolated compounds) have been established but their effectiveness against coronavirus still needs to be explored. They can provide a rich resource of anti-SARS-CoV-2 drug candidates. In this paper, in-silico techniques have been used to identify the potential lead molecules against SARS-CoV-2. A list of flavonoids having anti-viral activity was prepared and evaluated against the selected target. Rhoifolin, 5,7-dimethoxyflavanone-4'-O-beta-d-glucopyranoside, baicalin, astragalin, luteolin, and kaempferol showed good binding affinity and thus these could be promising compounds. In-silico screening such as ADMET prediction has been performed which predicted that the selected flavonoids have good pharmacokinetics and pharmacodynamics properties. Molecular dynamics simulation studies and MM-PBSA binding free energy calculations showed luteolin to be a more effective candidate against viral protein Mpro. The novelty of the approach mainly rests in the identification of potent anti-viral natural molecules from natural products flavonoid group of molecules to be effective against the latest coronavirus infection.Communicated by Ramaswamy H. Sarma. Twit Text FOAVip Flavonoids as potential therapeutics against novel coronavirus disease-2019 (nCOVID-19) ????J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33682606 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33682606 #FOAvip English Wikipedia <ref>{{Cite pmid|33682606}}</ref> Flavonoids as potential therapeutics against novel coronavirus disease-2019 (nCOVID-19) #MMPMID33682606 Rakshit G; Dagur P; Satpathy S; Patra A; Jain A; Ghosh M J Biomol Struct Dyn 2022[Sep]; 40 (15): 6989-7001 PMID33682606show ga Since time immemorial natural products have been a great source of medicine to mankind. The anti-viral activities from several ayurvedic herbal medicines (in the form of crude extract or fraction or isolated compounds) have been established but their effectiveness against coronavirus still needs to be explored. They can provide a rich resource of anti-SARS-CoV-2 drug candidates. In this paper, in-silico techniques have been used to identify the potential lead molecules against SARS-CoV-2. A list of flavonoids having anti-viral activity was prepared and evaluated against the selected target. Rhoifolin, 5,7-dimethoxyflavanone-4'-O-beta-d-glucopyranoside, baicalin, astragalin, luteolin, and kaempferol showed good binding affinity and thus these could be promising compounds. In-silico screening such as ADMET prediction has been performed which predicted that the selected flavonoids have good pharmacokinetics and pharmacodynamics properties. Molecular dynamics simulation studies and MM-PBSA binding free energy calculations showed luteolin to be a more effective candidate against viral protein Mpro. The novelty of the approach mainly rests in the identification of potent anti-viral natural molecules from natural products flavonoid group of molecules to be effective against the latest coronavirus infection.Communicated by Ramaswamy H. Sarma. |*Biological Products/pharmacology/therapeutic use[MESH] |*COVID-19 Drug Treatment[MESH] |Antiviral Agents/chemistry/pharmacology/therapeutic use[MESH] |Flavonoids/chemistry/pharmacology/therapeutic use[MESH] |Humans[MESH] |Luteolin/pharmacology[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Protease Inhibitors/chemistry[MESH]Flavonoids as potential therapeutics against novel coronavirus disease(epmc).pdf DeepDyve Pubget Overpricing