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10.2174/1573406417666210208223924 http://scihub22266oqcxt.onion/10.2174/1573406417666210208223924 33563156!ä!33563156 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Med+Chem 2022 ; 18 (2): 220-237 Nephropedia Template TP {{tp|p=33563156|t=2022. Coumarins and Quinolones as Effective Multiple Targeted Agents Versus Covid-19: An In Silico Study |pdf=|usr=}}{{33563156}} gab.com Text Coumarins and Quinolones as Effective Multiple Targeted Agents Versus Covid-19: An In Silico Study JO: Med Chem http://www.kidney.de/pget.php?&tw=1&pmid=33563156 #FOAvip BACKGROUND: The Covid-19 virus emerged a few months ago in China, and infections rapidly escalated into a pandemic. OBJECTIVE: To date, there is no selective antiviral agent for the management of pathologies associated with covid-19 and the need for an effective agent against it is essential. METHODS: In this work, two home-made databases from synthetic quinolines and coumarins were virtually docked against viral proteases (3CL and PL), human cell surface proteases (TMPRSS2 and furin) and spike proteins (S1 and S2). Chloroquine, a reference drug without a clear mechanism against coronavirus was also docked on mentioned targets and the binding affinities compared with title compounds. RESULTS: The best compounds of synthetic coumarins and quinolines for each target were determined. All compounds against all targets showed binding affinity between -5.80 to -8.99 kcal/mol in comparison with the FDA-approved drug, Chloroquine, with binding affinity of -5.7 to -7.98 kcal/mol. Two compounds, quinoline-1 and coumarin-24, were found to be effective on three targets - S2, TMPRSS2 and furin - simultaneously, with good predicted affinity between -7.54 to -8.85 kcal/mol. In silico ADME studies also confirmed good oral absorption for them. Furthermore, PASS prediction was calculated and coumarin-24 had higher probable activity (Pa) than probable inactivity (Pi) with acceptable protease inhibitory as well as good antiviral activity against Hepatitis C virus (HCV), Human immunodeficiency virus (HIV) and influenza. CONCLUSION: Quinoline-1 and Coumarin-24 have the potential to be used against Covid-19. Hence these agents could be useful in combating covid-19 infection after further in vitro and in vivo studies. Twit Text FOAVip Coumarins and Quinolones as Effective Multiple Targeted Agents Versus Covid-19: An In Silico Study ????Med Chem http://www.kidney.de/pget.php?&tw=1&pmid=33563156 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33563156 #FOAvip English Wikipedia <ref>{{Cite pmid|33563156}}</ref> Coumarins and Quinolones as Effective Multiple Targeted Agents Versus Covid-19: An In Silico Study #MMPMID33563156 Nejabat M; Ghodsi R; Hadizadeh F Med Chem 2022[]; 18 (2): 220-237 PMID33563156show ga BACKGROUND: The Covid-19 virus emerged a few months ago in China, and infections rapidly escalated into a pandemic. OBJECTIVE: To date, there is no selective antiviral agent for the management of pathologies associated with covid-19 and the need for an effective agent against it is essential. METHODS: In this work, two home-made databases from synthetic quinolines and coumarins were virtually docked against viral proteases (3CL and PL), human cell surface proteases (TMPRSS2 and furin) and spike proteins (S1 and S2). Chloroquine, a reference drug without a clear mechanism against coronavirus was also docked on mentioned targets and the binding affinities compared with title compounds. RESULTS: The best compounds of synthetic coumarins and quinolines for each target were determined. All compounds against all targets showed binding affinity between -5.80 to -8.99 kcal/mol in comparison with the FDA-approved drug, Chloroquine, with binding affinity of -5.7 to -7.98 kcal/mol. Two compounds, quinoline-1 and coumarin-24, were found to be effective on three targets - S2, TMPRSS2 and furin - simultaneously, with good predicted affinity between -7.54 to -8.85 kcal/mol. In silico ADME studies also confirmed good oral absorption for them. Furthermore, PASS prediction was calculated and coumarin-24 had higher probable activity (Pa) than probable inactivity (Pi) with acceptable protease inhibitory as well as good antiviral activity against Hepatitis C virus (HCV), Human immunodeficiency virus (HIV) and influenza. CONCLUSION: Quinoline-1 and Coumarin-24 have the potential to be used against Covid-19. Hence these agents could be useful in combating covid-19 infection after further in vitro and in vivo studies. |*Antineoplastic Agents[MESH] |*COVID-19[MESH] |*Quinolones[MESH] |Coumarins/pharmacology[MESH] |Humans[MESH]Coumarins and Quinolones as Effective Multiple Targeted Agents Versus (epmc).pdf DeepDyve Pubget Overpricing