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10.1021/acs.jproteome.0c00383 http://scihub22266oqcxt.onion/10.1021/acs.jproteome.0c00383 32893632!7640956!32893632     free     free     free 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 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Proteome+Res 2020 ; 19 (11): 4637-4648 Nephropedia Template TP {{tp|p=32893632|t=2020. In Silico Drug Repurposing for SARS-CoV-2 Main Proteinase and Spike Proteins |pdf=|usr=}}{{32893632}} gab.com Text In Silico Drug Repurposing for SARS-CoV-2 Main Proteinase and Spike Proteins JO: J Proteome Res http://www.kidney.de/pget.php?&tw=1&pmid=32893632 #FOAvip The pandemic caused by SARS-CoV-2 is currently representing a major health and economic threat to humanity. So far, no specific treatment to this viral infection has been developed and the emergency still requires an efficient intervention. In this work, we used virtual screening to facilitate drug repurposing against SARS-CoV-2, targeting viral main proteinase and spike protein with 3000 existing drugs. We used a protocol based on a docking step followed by a short molecular dynamic simulation and rescoring by the Nwat-MMGBSA approach. Our results provide suggestions for prioritizing in vitro and/or in vivo tests of already available compounds. Twit Text FOAVip In Silico Drug Repurposing for SARS-CoV-2 Main Proteinase and Spike Proteins ????J Proteome Res http://www.kidney.de/pget.php?&tw=1&pmid=32893632 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32893632 #FOAvip English Wikipedia <ref>{{Cite pmid|32893632}}</ref> In Silico Drug Repurposing for SARS-CoV-2 Main Proteinase and Spike Proteins #MMPMID32893632 Maffucci I; Contini A J Proteome Res 2020[Nov]; 19 (11): 4637-4648 PMID32893632show ga The pandemic caused by SARS-CoV-2 is currently representing a major health and economic threat to humanity. So far, no specific treatment to this viral infection has been developed and the emergency still requires an efficient intervention. In this work, we used virtual screening to facilitate drug repurposing against SARS-CoV-2, targeting viral main proteinase and spike protein with 3000 existing drugs. We used a protocol based on a docking step followed by a short molecular dynamic simulation and rescoring by the Nwat-MMGBSA approach. Our results provide suggestions for prioritizing in vitro and/or in vivo tests of already available compounds. |*Antiviral Agents/chemistry/metabolism[MESH] |*Peptide Hydrolases/chemistry/metabolism[MESH] |*Spike Glycoprotein, Coronavirus/chemistry/metabolism[MESH] |Betacoronavirus/chemistry/enzymology/metabolism[MESH] |COVID-19[MESH] |Coronavirus Infections/virology[MESH] |Drug Repositioning/*methods[MESH] |Humans[MESH] |Molecular Dynamics Simulation[MESH] |Pandemics[MESH] |Pneumonia, Viral/virology[MESH] |SARS-CoV-2[MESH]In Silico Drug Repurposing for SARS-CoV-2 Main Proteinase and Spike Pr(epmc).pdf DeepDyve Pubget Overpricing