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10.1002/jmv.25761 http://scihub22266oqcxt.onion/10.1002/jmv.25761 32167173!7228302!32167173     free     free     free Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Med+Virol 2020 ; 92 (6): 693-697 Nephropedia Template TP {{tp|p=32167173|t=2020. The potential chemical structure of anti-SARS-CoV-2 RNA-dependent RNA polymerase |pdf=|usr=}}{{32167173}} gab.com Text The potential chemical structure of anti-SARS-CoV-2 RNA-dependent RNA polymerase JO: J Med Virol http://www.kidney.de/pget.php?&tw=1&pmid=32167173 #FOAvip An outbreak of coronavirus disease 2019 (COVID-19) occurred in Wuhan and it has rapidly spread to almost all parts of the world. For coronaviruses, RNA-dependent RNA polymerase (RdRp) is an important polymerase that catalyzes the replication of RNA from RNA template and is an attractive therapeutic target. In this study, we screened these chemical structures from traditional Chinese medicinal compounds proven to show antiviral activity in severe acute respiratory syndrome coronavirus (SARS-CoV) and the similar chemical structures through a molecular docking study to target RdRp of SARS-CoV-2, SARS-CoV, and Middle East respiratory syndrome coronavirus (MERS-CoV). We found that theaflavin has a lower idock score in the catalytic pocket of RdRp in SARS-CoV-2 (-9.11 kcal/mol), SARS-CoV (-8.03 kcal/mol), and MERS-CoV (-8.26 kcal/mol) from idock. To confirm the result, we discovered that theaflavin has lower binding energy of -8.8 kcal/mol when it docks in the catalytic pocket of SARS-CoV-2 RdRp by using the Blind Docking server. Regarding contact modes, hydrophobic interactions contribute significantly in binding and additional hydrogen bonds were found between theaflavin and RdRp. Moreover, one pi-cation interaction was formed between theaflavin and Arg553 from the Blind Docking server. Our results suggest that theaflavin could be a potential SARS-CoV-2 RdRp inhibitor for further study. Twit Text FOAVip The potential chemical structure of anti-SARS-CoV-2 RNA-dependent RNA polymerase ????J Med Virol http://www.kidney.de/pget.php?&tw=1&pmid=32167173 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32167173 #FOAvip English Wikipedia <ref>{{Cite pmid|32167173}}</ref> The potential chemical structure of anti-SARS-CoV-2 RNA-dependent RNA polymerase #MMPMID32167173 Lung J; Lin YS; Yang YH; Chou YL; Shu LH; Cheng YC; Liu HT; Wu CY J Med Virol 2020[Jun]; 92 (6): 693-697 PMID32167173show ga An outbreak of coronavirus disease 2019 (COVID-19) occurred in Wuhan and it has rapidly spread to almost all parts of the world. For coronaviruses, RNA-dependent RNA polymerase (RdRp) is an important polymerase that catalyzes the replication of RNA from RNA template and is an attractive therapeutic target. In this study, we screened these chemical structures from traditional Chinese medicinal compounds proven to show antiviral activity in severe acute respiratory syndrome coronavirus (SARS-CoV) and the similar chemical structures through a molecular docking study to target RdRp of SARS-CoV-2, SARS-CoV, and Middle East respiratory syndrome coronavirus (MERS-CoV). We found that theaflavin has a lower idock score in the catalytic pocket of RdRp in SARS-CoV-2 (-9.11 kcal/mol), SARS-CoV (-8.03 kcal/mol), and MERS-CoV (-8.26 kcal/mol) from idock. To confirm the result, we discovered that theaflavin has lower binding energy of -8.8 kcal/mol when it docks in the catalytic pocket of SARS-CoV-2 RdRp by using the Blind Docking server. Regarding contact modes, hydrophobic interactions contribute significantly in binding and additional hydrogen bonds were found between theaflavin and RdRp. Moreover, one pi-cation interaction was formed between theaflavin and Arg553 from the Blind Docking server. Our results suggest that theaflavin could be a potential SARS-CoV-2 RdRp inhibitor for further study. |Amino Acid Sequence[MESH] |Antiviral Agents/*chemistry/pharmacology[MESH] |Betacoronavirus/*drug effects/enzymology/genetics[MESH] |Biflavonoids/*chemistry/pharmacology[MESH] |Catalytic Domain[MESH] |Catechin/*chemistry/pharmacology[MESH] |Computational Biology/methods[MESH] |Drugs, Chinese Herbal/*chemistry/pharmacology[MESH] |Gene Expression[MESH] |Humans[MESH] |Hydrogen Bonding[MESH] |Hydrophobic and Hydrophilic Interactions[MESH] |Middle East Respiratory Syndrome Coronavirus/drug effects/enzymology/genetics[MESH] |Molecular Docking Simulation[MESH] |Protein Binding[MESH] |Protein Interaction Domains and Motifs[MESH] |Protein Structure, Secondary[MESH] |RNA-Dependent RNA Polymerase/antagonists & inhibitors/*chemistry/genetics/metabolism[MESH] |SARS-CoV-2[MESH] |Sequence Alignment[MESH] |Sequence Homology, Amino Acid[MESH] |Severe acute respiratory syndrome-related coronavirus/drug effects/enzymology/genetics[MESH] |Thermodynamics[MESH]The potential chemical structure of anti-SARS-CoV-2 RNA-dependent RNA (epmc).pdf DeepDyve Pubget Overpricing