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10.1080/07391102.2020.1792993 http://scihub22266oqcxt.onion/10.1080/07391102.2020.1792993 32677545!7441757!32677545     free     free     free Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 251.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 251.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Biomol+Struct+Dyn 2021 ; 39 (15): 5792-5798 Nephropedia Template TP {{tp|p=32677545|t=2021. Approach to the mechanism of action of hydroxychloroquine on SARS-CoV-2: a molecular docking study |pdf=|usr=}}{{32677545}} gab.com Text Approach to the mechanism of action of hydroxychloroquine on SARS-CoV-2: a molecular docking study JO: J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=32677545 #FOAvip We aimed to analyze the interactions of both hydroxychloroquine and chloroquine with SARS-CoV-2 and identify their possible role for the prevention/treatment of COVID-19 by molecular docking studies. Protein crystal structures of SARS-CoV-2 and ACE2, the compounds hydroxychloroquine and chloroquine, and other ligand structures were minimized by OPLS3 force field. Glide Standard Precision and Extra Precision docking are performed and MM-GBSA values ??are calculated. Molecular docking studies showed that hydroxychloroquine and chloroquine do not interact with SARS-CoV-2 proteins, but bind to the amino acids ASP350, ASP382, ALA348, PHE40 and PHE390 on the ACE2 allosteric site rather than the ACE2 active site. Our results showed that neither hydroxychloroquine and chloroquine bind to the active site of ACE2. However, both molecules prevent the binding of SARS-CoV-2 spike protein to ACE2 by interacting with the allosteric site. This result can help ACE2 inhibitor drug development studies to prevent viruses entering the cell by attaching spike protein to ACE2. Communicated by Ramaswamy H. Sarma. Twit Text FOAVip Approach to the mechanism of action of hydroxychloroquine on SARS-CoV-2: a molecular docking study ????J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=32677545 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32677545 #FOAvip English Wikipedia <ref>{{Cite pmid|32677545}}</ref> Approach to the mechanism of action of hydroxychloroquine on SARS-CoV-2: a molecular docking study #MMPMID32677545 Celi K I; Onay-Besi Kci A; Ayhan-Kilcigi L G J Biomol Struct Dyn 2021[Sep]; 39 (15): 5792-5798 PMID32677545show ga We aimed to analyze the interactions of both hydroxychloroquine and chloroquine with SARS-CoV-2 and identify their possible role for the prevention/treatment of COVID-19 by molecular docking studies. Protein crystal structures of SARS-CoV-2 and ACE2, the compounds hydroxychloroquine and chloroquine, and other ligand structures were minimized by OPLS3 force field. Glide Standard Precision and Extra Precision docking are performed and MM-GBSA values ??are calculated. Molecular docking studies showed that hydroxychloroquine and chloroquine do not interact with SARS-CoV-2 proteins, but bind to the amino acids ASP350, ASP382, ALA348, PHE40 and PHE390 on the ACE2 allosteric site rather than the ACE2 active site. Our results showed that neither hydroxychloroquine and chloroquine bind to the active site of ACE2. However, both molecules prevent the binding of SARS-CoV-2 spike protein to ACE2 by interacting with the allosteric site. This result can help ACE2 inhibitor drug development studies to prevent viruses entering the cell by attaching spike protein to ACE2. Communicated by Ramaswamy H. Sarma. |*COVID-19 Drug Treatment[MESH] |*Hydroxychloroquine/pharmacology[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |SARS-CoV-2[MESH]Approach to the mechanism of action of hydroxychloroquine on SARS-CoV-(epmc).pdf DeepDyve Pubget Overpricing