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10.1080/07391102.2020.1845976 http://scihub22266oqcxt.onion/10.1080/07391102.2020.1845976 33179586!7678354!33179586     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       J+Biomol+Struct+Dyn 2022 ; 40 (7): 3170-3184 Nephropedia Template TP {{tp|p=33179586|t=2022. Reprofiling of approved drugs against SARS-CoV-2 main protease: an in-silico study |pdf=|usr=}}{{33179586}} gab.com Text Reprofiling of approved drugs against SARS-CoV-2 main protease: an in-silico study JO: J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33179586 #FOAvip Given the COVID-19 pandemic, currently, there are many drugs in clinical trials against this virus. Among the excellent drug targets of SARS-CoV-2 are its proteases (Nsp3 and Nsp5) that plays vital role in polyprotein processing giving rise to functional nonstructural proteins, essential for viral replication and survival. Nsp5 (also known as M(pro)) hydrolyzes replicase polyprotein (1ab) at eleven different sites. For targeting M(pro), we have employed drug repurposing approach to identify potential inhibitors of SARS-CoV-2 in a shorter time span. Screening of approved drugs through docking reveals Hyaluronic acid and Acarbose among the top hits which are showing strong interactions with catalytic site residues of M(pro). We have also performed docking of drugs Lopinavir, Ribavirin, and Azithromycin on SARS-CoV-2 M(pro). Further, binding of these compounds (Hyaluronic acid, Acarbose, and Lopinavir) is validated by extensive molecular dynamics simulation of 500 ns where these drugs show stable binding with M(pro). We believe that the high-affinity binding of these compounds will help in designing novel strategies for structure-based drug discovery against SARS-CoV-2.Communicated by Ramaswamy H. Sarma. Twit Text FOAVip Reprofiling of approved drugs against SARS-CoV-2 main protease: an in-silico study ????J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33179586 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33179586 #FOAvip English Wikipedia <ref>{{Cite pmid|33179586}}</ref> Reprofiling of approved drugs against SARS-CoV-2 main protease: an in-silico study #MMPMID33179586 Kumar P; Bhardwaj T; Kumar A; Gehi BR; Kapuganti SK; Garg N; Nath G; Giri R J Biomol Struct Dyn 2022[Apr]; 40 (7): 3170-3184 PMID33179586show ga Given the COVID-19 pandemic, currently, there are many drugs in clinical trials against this virus. Among the excellent drug targets of SARS-CoV-2 are its proteases (Nsp3 and Nsp5) that plays vital role in polyprotein processing giving rise to functional nonstructural proteins, essential for viral replication and survival. Nsp5 (also known as M(pro)) hydrolyzes replicase polyprotein (1ab) at eleven different sites. For targeting M(pro), we have employed drug repurposing approach to identify potential inhibitors of SARS-CoV-2 in a shorter time span. Screening of approved drugs through docking reveals Hyaluronic acid and Acarbose among the top hits which are showing strong interactions with catalytic site residues of M(pro). We have also performed docking of drugs Lopinavir, Ribavirin, and Azithromycin on SARS-CoV-2 M(pro). Further, binding of these compounds (Hyaluronic acid, Acarbose, and Lopinavir) is validated by extensive molecular dynamics simulation of 500 ns where these drugs show stable binding with M(pro). We believe that the high-affinity binding of these compounds will help in designing novel strategies for structure-based drug discovery against SARS-CoV-2.Communicated by Ramaswamy H. Sarma. |*COVID-19 Drug Treatment[MESH] |*Pandemics[MESH] |Coronavirus 3C Proteases[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Protease Inhibitors/chemistry/pharmacology[MESH]Reprofiling of approved drugs against SARS-CoV-2 main protease: an in-(epmc).pdf DeepDyve Pubget Overpricing