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10.1016/j.virol.2020.12.008 http://scihub22266oqcxt.onion/10.1016/j.virol.2020.12.008 33370597!7759334!33370597     free     free     free Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Virology 2021 ; 554 (ä): 48-54 Nephropedia Template TP {{tp|p=33370597|t=2021. Repurposing of renin inhibitors as SARS-COV-2 main protease inhibitors: A computational study |pdf=|usr=}}{{33370597}} gab.com Text Repurposing of renin inhibitors as SARS-COV-2 main protease inhibitors: A computational study JO: Virology http://www.kidney.de/pget.php?&tw=1&pmid=33370597 #FOAvip The COVID-19 pandemic has urged for the repurposing of existing drugs for rapid management and treatment. Renin inhibitors down regulation of ACE2, which is an essential receptor for SARS-CoV-2 infection that is responsible for COVID-19, in addition to their ability to act as protease inhibitors were encouraging aspects for their investigation as possible inhibitors of main protease of SARS-CoV-2 via computational studies. A Pharmacophore model was generated using the newly released SARS-COV-2 main protease inhibitors. Virtual screening was performed on renin inhibitors, and Drug likeness filter identified remikiren and 0IU as hits. Molecular docking for both compounds showed that the orally active renin inhibitor remikiren (Ro 42-5892) of Hoffmann-La Roche exhibited good molecular interaction with Cys145 and His41 in the catalytic site of SARS-CoV-2 main protease. Molecular dynamics simulation suggested that the drug is stable in the active site of the enzyme. Twit Text FOAVip Repurposing of renin inhibitors as SARS-COV-2 main protease inhibitors: A computational study ????Virology http://www.kidney.de/pget.php?&tw=1&pmid=33370597 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33370597 #FOAvip English Wikipedia <ref>{{Cite pmid|33370597}}</ref> Repurposing of renin inhibitors as SARS-COV-2 main protease inhibitors: A computational study #MMPMID33370597 Refaey RH; El-Ashrey MK; Nissan YM Virology 2021[Feb]; 554 (ä): 48-54 PMID33370597show ga The COVID-19 pandemic has urged for the repurposing of existing drugs for rapid management and treatment. Renin inhibitors down regulation of ACE2, which is an essential receptor for SARS-CoV-2 infection that is responsible for COVID-19, in addition to their ability to act as protease inhibitors were encouraging aspects for their investigation as possible inhibitors of main protease of SARS-CoV-2 via computational studies. A Pharmacophore model was generated using the newly released SARS-COV-2 main protease inhibitors. Virtual screening was performed on renin inhibitors, and Drug likeness filter identified remikiren and 0IU as hits. Molecular docking for both compounds showed that the orally active renin inhibitor remikiren (Ro 42-5892) of Hoffmann-La Roche exhibited good molecular interaction with Cys145 and His41 in the catalytic site of SARS-CoV-2 main protease. Molecular dynamics simulation suggested that the drug is stable in the active site of the enzyme. |*Drug Repositioning[MESH] |COVID-19 Drug Treatment[MESH] |COVID-19/virology[MESH] |Catalytic Domain[MESH] |Coronavirus 3C Proteases/*antagonists & inhibitors/chemistry/metabolism[MESH] |Imidazoles/chemistry/metabolism/pharmacology[MESH] |Models, Molecular[MESH] |Protease Inhibitors/chemistry/metabolism/*pharmacology[MESH] |Protein Binding[MESH] |Renin/*antagonists & inhibitors[MESH]Repurposing of renin inhibitors as SARS-COV-2 main protease inhibitors(epmc).pdf DeepDyve Pubget Overpricing