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10.1080/07391102.2020.1769733 http://scihub22266oqcxt.onion/10.1080/07391102.2020.1769733 32410504!7284144!32410504     free     free     free Deprecated: Implicit conversion from float 235.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 235.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 235.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 235.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 235.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 235.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 235.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 269.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 269.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Biomol+Struct+Dyn 2021 ; 39 (10): 3627-3637 Nephropedia Template TP {{tp|p=32410504|t=2021. Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2-a molecular dynamic study |pdf=|usr=}}{{32410504}} gab.com Text Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2-a molecular dynamic study JO: J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=32410504 #FOAvip Sever acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a single-stranded RNA (ssRNA) virus, responsible for severe acute respiratory disease (COVID-19). A large number of natural compounds are under trial for screening compounds, possessing potential inhibitory effect against the viral infection. Keeping in view the importance of marine compounds in antiviral activity, we investigated the potency of some marine natural products to target SARS-CoV-2 main protease (M(pro)) (PDB ID 6MO3). The crystallographic structure of M(pro) in an apo form was retrieved from Protein Data Bank and marine compounds from PubChem. These structures were prepared for docking and the complex with good docking score was subjected to molecular dynamic (MD) simulations for a period of 100 ns. To measure the stability, flexibility, and average distance between the target and compounds, root mean square deviations (RMSD), root mean square fluctuation (RMSF), and the distance matrix were calculated. Among five marine compounds, C-1 (PubChem CID 11170714) exhibited good activity, interacting with the active site and surrounding residues, forming many hydrogen and hydrophobic interactions. The C-1 also attained a stable dynamic behavior, and the average distance between compound and target remains constant. In conclusion, marine natural compounds may be used as a potential inhibitor against SARS-CoV-2 for better management of COVID-19. Twit Text FOAVip Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2-a molecular dynamic study ????J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=32410504 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32410504 #FOAvip English Wikipedia <ref>{{Cite pmid|32410504}}</ref> Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2-a molecular dynamic study #MMPMID32410504 Khan MT; Ali A; Wang Q; Irfan M; Khan A; Zeb MT; Zhang YJ; Chinnasamy S; Wei DQ J Biomol Struct Dyn 2021[Jul]; 39 (10): 3627-3637 PMID32410504show ga Sever acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a single-stranded RNA (ssRNA) virus, responsible for severe acute respiratory disease (COVID-19). A large number of natural compounds are under trial for screening compounds, possessing potential inhibitory effect against the viral infection. Keeping in view the importance of marine compounds in antiviral activity, we investigated the potency of some marine natural products to target SARS-CoV-2 main protease (M(pro)) (PDB ID 6MO3). The crystallographic structure of M(pro) in an apo form was retrieved from Protein Data Bank and marine compounds from PubChem. These structures were prepared for docking and the complex with good docking score was subjected to molecular dynamic (MD) simulations for a period of 100 ns. To measure the stability, flexibility, and average distance between the target and compounds, root mean square deviations (RMSD), root mean square fluctuation (RMSF), and the distance matrix were calculated. Among five marine compounds, C-1 (PubChem CID 11170714) exhibited good activity, interacting with the active site and surrounding residues, forming many hydrogen and hydrophobic interactions. The C-1 also attained a stable dynamic behavior, and the average distance between compound and target remains constant. In conclusion, marine natural compounds may be used as a potential inhibitor against SARS-CoV-2 for better management of COVID-19. |*Protease Inhibitors/pharmacology[MESH] |Aquatic Organisms/chemistry[MESH] |Biological Products/*pharmacology[MESH] |Coronavirus 3C Proteases/*antagonists & inhibitors[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH]Marine natural compounds as potents inhibitors against the main protea(epmc).pdf DeepDyve Pubget Overpricing