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10.1016/j.molstruc.2020.128878 http://scihub22266oqcxt.onion/10.1016/j.molstruc.2020.128878 C7347502!7347502 !32834113     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 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 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 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\32834113 .jpg): Failed to open stream: No such file or directory in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 117       J+Mol+Struct 2020 ; 1222 (ä): 128878 Nephropedia Template TP {{tp|p=32834113 |t=2020. Inhibition of SARS-CoV-2 main protease 3CL(pro) by means of ?-ketoamide and pyridone-containing pharmaceuticals using in silico molecular docking |pdf=|usr=}}{{32834113 }} gab.com Text Inhibition of SARS-CoV-2 main protease 3CL(pro) by means of -ketoamide and pyridone-containing pharmaceuticals using in silico molecular docking JO: J Mol Struct http://www.kidney.de/pget.php?&tw=1&pmid=32834113 #FOAvip The coronavirus disease infections (COVID-19) caused by a new type of coronavirus (SARS-CoV-2) have been emerging in the entire world. Therefore, it is necessary to find out potential therapeutic pharmaceuticals for this disease. This study investigates the inhibitory effect of the 3-chymotrypsin-like protease of SARS-CoV-2 (3CL(pro)) using pharmaceuticals containing ?-ketoamide group and pyridone ring based on molecular docking. Of these, eight pharmaceuticals approved by US-Food and Drug Administration have shown good contact with the catalytic residues of 3CL(pro). They are telaprevir, temsirolimus, pimecrolimus, aminoglutethimide, apixaban, buspirone, lenalidomide, and pomalidomide. Their binding affinity score ranged from -5.6 to -7.4 kcal/mol. Hydrogen bonds were observed and reported. To the knowledge, this study report for the first time a compound that could be binding to ALA(285), the new residue resulting from genetic modification of 3CL(pro) of SARS-CoV-2 that has increased its catalytic activity 3.6-fold compared with its predecessor 3CL(pro) of SARS-CoV. It is recommended that telaprevir, and pyridone-containing pharmaceuticals including aminoglutethimide, apixaban, buspirone, lenalidomide, and pomalidomide be repurposed for COVID-19 treatment after suitable validation and clinical trials. Twit Text FOAVip Inhibition of SARS-CoV-2 main protease 3CL(pro) by means of -ketoamide and pyridone-containing pharmaceuticals using in silico molecular docking ????J Mol Struct http://www.kidney.de/pget.php?&tw=1&pmid=32834113 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32834113 #FOAvip English Wikipedia <ref>{{Cite pmid|32834113 }}</ref> Inhibition of SARS-CoV-2 main protease 3CL(pro) by means of ?-ketoamide and pyridone-containing pharmaceuticals using in silico molecular docking #MMPMID32834113 Elzupir AO J Mol Struct 2020[Dec]; 1222 (ä): 128878 PMID32834113 show ga The coronavirus disease infections (COVID-19) caused by a new type of coronavirus (SARS-CoV-2) have been emerging in the entire world. Therefore, it is necessary to find out potential therapeutic pharmaceuticals for this disease. This study investigates the inhibitory effect of the 3-chymotrypsin-like protease of SARS-CoV-2 (3CL(pro)) using pharmaceuticals containing ?-ketoamide group and pyridone ring based on molecular docking. Of these, eight pharmaceuticals approved by US-Food and Drug Administration have shown good contact with the catalytic residues of 3CL(pro). They are telaprevir, temsirolimus, pimecrolimus, aminoglutethimide, apixaban, buspirone, lenalidomide, and pomalidomide. Their binding affinity score ranged from -5.6 to -7.4 kcal/mol. Hydrogen bonds were observed and reported. To the knowledge, this study report for the first time a compound that could be binding to ALA(285), the new residue resulting from genetic modification of 3CL(pro) of SARS-CoV-2 that has increased its catalytic activity 3.6-fold compared with its predecessor 3CL(pro) of SARS-CoV. It is recommended that telaprevir, and pyridone-containing pharmaceuticals including aminoglutethimide, apixaban, buspirone, lenalidomide, and pomalidomide be repurposed for COVID-19 treatment after suitable validation and clinical trials. äInhibition of SARS-CoV-2 main protease 3CL(pro) by means of ?-ketoamid(epmc).pdf DeepDyve Pubget Overpricing