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10.1080/07391102.2020.1829501 http://scihub22266oqcxt.onion/10.1080/07391102.2020.1829501 33030102!ä!33030102 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 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 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 2022 ; 40 (4): 1534-1545 Nephropedia Template TP {{tp|p=33030102|t=2022. Finding potent inhibitors for COVID-19 main protease (M(pro)): an in silico approach using SARS-CoV-3CL protease inhibitors for combating CORONA |pdf=|usr=}}{{33030102}} gab.com Text Finding potent inhibitors for COVID-19 main protease (M(pro)): an in silico approach using SARS-CoV-3CL protease inhibitors for combating CORONA JO: J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33030102 #FOAvip SARS-CoV-2 is liable for the worldwide coronavirus disease (COVID-19) exigency. This pandemic created the need for all viable treatment strategies available in the market. In this scenario, computer-aided drug design techniques can be efficiently applied for the quick identification of promising drug repurposing candidates. In the current study, we applied the molecular docking approach in conjugation with molecular dynamics (MD) simulations to find out potential inhibitors against M(pro) of SARS-CoV-2 from previously reported SARS-3CL protease inhibitors. Our results showed that N-substituted isatin derivatives and pyrazolone compounds could be used as a potent inhibitor and may possess an anti-viral activity against SARS-CoV-2. However, further experimental investigation and validation of the selected hits are required to find out their suitability for clinical trials. Communicated by Ramaswamy H. Sarma. Twit Text FOAVip Finding potent inhibitors for COVID-19 main protease (M(pro)): an in silico approach using SARS-CoV-3CL protease inhibitors for combating CORONA ????J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33030102 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33030102 #FOAvip English Wikipedia <ref>{{Cite pmid|33030102}}</ref> Finding potent inhibitors for COVID-19 main protease (M(pro)): an in silico approach using SARS-CoV-3CL protease inhibitors for combating CORONA #MMPMID33030102 Motiwale M; Yadav NS; Kumar S; Kushwaha T; Choudhir G; Sharma S; Singour PK J Biomol Struct Dyn 2022[Mar]; 40 (4): 1534-1545 PMID33030102show ga SARS-CoV-2 is liable for the worldwide coronavirus disease (COVID-19) exigency. This pandemic created the need for all viable treatment strategies available in the market. In this scenario, computer-aided drug design techniques can be efficiently applied for the quick identification of promising drug repurposing candidates. In the current study, we applied the molecular docking approach in conjugation with molecular dynamics (MD) simulations to find out potential inhibitors against M(pro) of SARS-CoV-2 from previously reported SARS-3CL protease inhibitors. Our results showed that N-substituted isatin derivatives and pyrazolone compounds could be used as a potent inhibitor and may possess an anti-viral activity against SARS-CoV-2. However, further experimental investigation and validation of the selected hits are required to find out their suitability for clinical trials. Communicated by Ramaswamy H. Sarma. |*COVID-19[MESH] |*Protease Inhibitors/pharmacology[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Peptide Hydrolases[MESH]Finding potent inhibitors for COVID-19 main protease (M(pro)): an in s(epmc).pdf DeepDyve Pubget Overpricing