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10.1016/j.micpath.2020.104365 http://scihub22266oqcxt.onion/10.1016/j.micpath.2020.104365 32619669!7834391!32619669     free     free     free Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Warning: imagejpeg(C:\Inetpub\vhosts\kidney.de\httpdocs\phplern\32619669.jpg): Failed to open stream: No such file or directory in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 117       Microb+Pathog 2020 ; 148 (ä): 104365 Nephropedia Template TP {{tp|p=32619669|t=2020. Virtual screening based on molecular docking of possible inhibitors of Covid-19 main protease |pdf=|usr=}}{{32619669}} gab.com Text Virtual screening based on molecular docking of possible inhibitors of Covid-19 main protease JO: Microb Pathog http://www.kidney.de/pget.php?&tw=1&pmid=32619669 #FOAvip Coronavirus (COVID-19) is an enveloped RNA virus that is diversely found in humans and that has now been declared a global pandemic by the World Health Organization. Thus, there is an urgent need to develop effective therapies and vaccines against this disease. In this context, this study aimed to evaluate in silico the molecular interactions of drugs with therapeutic indications for treatment of COVID-19 (Azithromycin, Baricitinib and Hydroxychloroquine) and drugs with similar structures (Chloroquine, Quinacrine and Ruxolitinib) in docking models from the SARS-CoV-2 main protease (M-pro) protein. The results showed that all inhibitors bound to the same enzyme site, more specifically in domain III of the SARS-CoV-2 main protease. Therefore, this study allows proposing the use of baricitinib and quinacrine, in combination with azithromycin; however, these computer simulations are just an initial step for conceiving new projects for the development of antiviral molecules. Twit Text FOAVip Virtual screening based on molecular docking of possible inhibitors of Covid-19 main protease ????Microb Pathog http://www.kidney.de/pget.php?&tw=1&pmid=32619669 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32619669 #FOAvip English Wikipedia <ref>{{Cite pmid|32619669}}</ref> Virtual screening based on molecular docking of possible inhibitors of Covid-19 main protease #MMPMID32619669 Marinho EM; Batista de Andrade Neto J; Silva J; Rocha da Silva C; Cavalcanti BC; Marinho ES; Nobre Junior HV Microb Pathog 2020[Nov]; 148 (ä): 104365 PMID32619669show ga Coronavirus (COVID-19) is an enveloped RNA virus that is diversely found in humans and that has now been declared a global pandemic by the World Health Organization. Thus, there is an urgent need to develop effective therapies and vaccines against this disease. In this context, this study aimed to evaluate in silico the molecular interactions of drugs with therapeutic indications for treatment of COVID-19 (Azithromycin, Baricitinib and Hydroxychloroquine) and drugs with similar structures (Chloroquine, Quinacrine and Ruxolitinib) in docking models from the SARS-CoV-2 main protease (M-pro) protein. The results showed that all inhibitors bound to the same enzyme site, more specifically in domain III of the SARS-CoV-2 main protease. Therefore, this study allows proposing the use of baricitinib and quinacrine, in combination with azithromycin; however, these computer simulations are just an initial step for conceiving new projects for the development of antiviral molecules. |Antiviral Agents/*chemistry/*pharmacology[MESH] |Binding Sites/drug effects[MESH] |COVID-19 Drug Treatment[MESH] |COVID-19/*virology[MESH] |Coronavirus 3C Proteases/*antagonists & inhibitors/*chemistry[MESH] |Cysteine Endopeptidases/chemistry[MESH] |Cysteine Proteinase Inhibitors/chemistry/pharmacology[MESH] |Drug Discovery/methods[MESH] |Drug Evaluation, Preclinical/methods[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Protease Inhibitors/chemistry/pharmacology[MESH]Virtual screening based on molecular docking of possible inhibitors of(epmc).pdf DeepDyve Pubget Overpricing