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10.1080/07391102.2021.1891141 http://scihub22266oqcxt.onion/10.1080/07391102.2021.1891141 33645457!ä!33645457 Deprecated: Implicit conversion from float 215.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 215.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Biomol+Struct+Dyn 2022 ; 40 (14): 6603-6618 Nephropedia Template TP {{tp|p=33645457|t=2022. Targeting allosteric pockets of SARS-CoV-2 main protease M(pro) |pdf=|usr=}}{{33645457}} gab.com Text Targeting allosteric pockets of SARS-CoV-2 main protease M(pro) JO: J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33645457 #FOAvip Repurposing of antivirals is an attractive therapeutic option for the treatment of COVID-19. Main protease (M(pro)()), also called 3 C-like protease (3CL(pro)) is a key protease of SARS-CoV-2 involved in viral replication, and is a promising drug target for antivirals. A major challenge to test the efficacy of antivirals is the conformational plasticity of M(pro) and its future mutation prone flexibility. Suitable choice of drugs in catalytic and allosteric pockets appear to be essential for combination therapy. Current study, based on docking and extensive set of MD simulations, finds the combination of Elbasvir, Glecaprevir and Ritonavir to be a viable candidate for further experimental drug testing/pharmacophore design for M(pro).Communicated by Ramaswamy H. Sarma. Twit Text FOAVip Targeting allosteric pockets of SARS-CoV-2 main protease M(pro) ????J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33645457 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33645457 #FOAvip English Wikipedia <ref>{{Cite pmid|33645457}}</ref> Targeting allosteric pockets of SARS-CoV-2 main protease M(pro) #MMPMID33645457 Bhat ZA; Chitara D; Iqbal J; Sanjeev BS; Madhumalar A J Biomol Struct Dyn 2022[Sep]; 40 (14): 6603-6618 PMID33645457show ga Repurposing of antivirals is an attractive therapeutic option for the treatment of COVID-19. Main protease (M(pro)()), also called 3 C-like protease (3CL(pro)) is a key protease of SARS-CoV-2 involved in viral replication, and is a promising drug target for antivirals. A major challenge to test the efficacy of antivirals is the conformational plasticity of M(pro) and its future mutation prone flexibility. Suitable choice of drugs in catalytic and allosteric pockets appear to be essential for combination therapy. Current study, based on docking and extensive set of MD simulations, finds the combination of Elbasvir, Glecaprevir and Ritonavir to be a viable candidate for further experimental drug testing/pharmacophore design for M(pro).Communicated by Ramaswamy H. Sarma. |*COVID-19 Drug Treatment[MESH] |*SARS-CoV-2[MESH] |Antiviral Agents/pharmacology[MESH] |Coronavirus 3C Proteases[MESH] |Cysteine Endopeptidases[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH]Targeting allosteric pockets of SARS-CoV-2 main protease M(pro) (epmc).pdf DeepDyve Pubget Overpricing