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10.1038/s41598-021-86712-2 http://scihub22266oqcxt.onion/10.1038/s41598-021-86712-2 33790352!8012565!33790352     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 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       Sci+Rep 2021 ; 11 (1): 7307 Nephropedia Template TP {{tp|p=33790352|t=2021. Computational drug repurposing study elucidating simultaneous inhibition of entry and replication of novel corona virus by Grazoprevir |pdf=|usr=}}{{33790352}} gab.com Text Computational drug repurposing study elucidating simultaneous inhibition of entry and replication of novel corona virus by Grazoprevir JO: Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=33790352 #FOAvip Outcomes of various clinical studies for the coronavirus disease 2019 (COVID-19) treatment indicated that the drug acts via inhibition of multiple pathways (targets) is likely to be more successful and promising. Keeping this hypothesis intact, the present study describes for the first-time, Grazoprevir, an FDA approved anti-viral drug primarily approved for Hepatitis C Virus (HCV), mediated multiple pathway control via synergistic inhibition of viral entry targeting host cell Angiotensin-Converting Enzyme 2 (ACE-2)/transmembrane serine protease 2 (TMPRSS2) and viral replication targeting RNA-dependent RNA polymerase (RdRP). Molecular modeling followed by in-depth structural analysis clearly demonstrated that Grazoprevir interacts with the key residues of these targets. Futher, Molecular Dynamics (MD) simulations showed stability and burial of key residues after the complex formation. Finally, Molecular Mechanics Poisson-Boltzmann Surface Area (MM-PBSA) analysis identified the governing force of drug-receptor interactions and stability. Thus, we believe that Grazoprevir could be an effective therapeutics for the treatment of the COVID-19 pandemic with a promise of unlikely drug resistance owing to multiple inhibitions of eukaryotic and viral proteins, thus warrants further clinical studies. Twit Text FOAVip Computational drug repurposing study elucidating simultaneous inhibition of entry and replication of novel corona virus by Grazoprevir ????Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=33790352 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33790352 #FOAvip English Wikipedia <ref>{{Cite pmid|33790352}}</ref> Computational drug repurposing study elucidating simultaneous inhibition of entry and replication of novel corona virus by Grazoprevir #MMPMID33790352 Behera SK; Vhora N; Contractor D; Shard A; Kumar D; Kalia K; Jain A Sci Rep 2021[Mar]; 11 (1): 7307 PMID33790352show ga Outcomes of various clinical studies for the coronavirus disease 2019 (COVID-19) treatment indicated that the drug acts via inhibition of multiple pathways (targets) is likely to be more successful and promising. Keeping this hypothesis intact, the present study describes for the first-time, Grazoprevir, an FDA approved anti-viral drug primarily approved for Hepatitis C Virus (HCV), mediated multiple pathway control via synergistic inhibition of viral entry targeting host cell Angiotensin-Converting Enzyme 2 (ACE-2)/transmembrane serine protease 2 (TMPRSS2) and viral replication targeting RNA-dependent RNA polymerase (RdRP). Molecular modeling followed by in-depth structural analysis clearly demonstrated that Grazoprevir interacts with the key residues of these targets. Futher, Molecular Dynamics (MD) simulations showed stability and burial of key residues after the complex formation. Finally, Molecular Mechanics Poisson-Boltzmann Surface Area (MM-PBSA) analysis identified the governing force of drug-receptor interactions and stability. Thus, we believe that Grazoprevir could be an effective therapeutics for the treatment of the COVID-19 pandemic with a promise of unlikely drug resistance owing to multiple inhibitions of eukaryotic and viral proteins, thus warrants further clinical studies. |Amides/*metabolism/*pharmacology[MESH] |Angiotensin-Converting Enzyme 2/chemistry/*metabolism[MESH] |Antiviral Agents/metabolism/*pharmacology[MESH] |Carbamates/*metabolism/*pharmacology[MESH] |Coronavirus RNA-Dependent RNA Polymerase/chemistry/*metabolism[MESH] |Cyclopropanes/*metabolism/*pharmacology[MESH] |Drug Repositioning[MESH] |Humans[MESH] |Models, Molecular[MESH] |Molecular Dynamics Simulation[MESH] |Quinoxalines/*metabolism/*pharmacology[MESH] |Serine Endopeptidases/chemistry/metabolism[MESH] |Sulfonamides/*metabolism/*pharmacology[MESH]Computational drug repurposing study elucidating simultaneous inhibiti(epmc).pdf DeepDyve Pubget Overpricing