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10.4149/BLL_2021_044 http://scihub22266oqcxt.onion/10.4149/BLL_2021_044 33729819!ä!33729819 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       Bratisl+Lek+Listy 2021 ; 122 (4): 263-269 Nephropedia Template TP {{tp|p=33729819|t=2021. Could boron-containing compounds (BCCs) be effective against SARS-CoV-2 as anti-viral agent?|pdf=|usr=}}{{33729819}} gab.com Text Could boron-containing compounds (BCCs) be effective against SARS-CoV-2 as anti-viral agent JO: Bratisl Lek Listy http://www.kidney.de/pget.php?&tw=1&pmid=33729819 #FOAvip BACKGROUND: Seven dioxaborole compounds are investigated in this study. Structural and spectral characterizations are done at the M062X/6-31+G(d,p) level in water. Active sites of these compounds are determined by contour plots of frontier molecular orbital and molecular electrostatic potential (MEP) maps. Electrophilic and nucleophilic attack regions are determined. Since SARS-CoV-2 is a worldwide health problem, antiviral properties of studied boron-containing compounds are investigated by molecular docking calculations. In addition to these calculations, MM/PSBA calculations are performed. RESULTS AND CONCLUSION: It is found that the studied boron compounds can be good drug candidates against the main protease of SARS-CoV-2, while the best of them is 4,6-di-tert-butyl-2-(4-methoxyphenyl)benzo[d][1,3,2] dioxaborole (B2) (Tab. 3, Fig. 8, Ref. 23). Twit Text FOAVip Could boron-containing compounds (BCCs) be effective against SARS-CoV-2 as anti-viral agent ????Bratisl Lek Listy http://www.kidney.de/pget.php?&tw=1&pmid=33729819 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33729819 #FOAvip English Wikipedia <ref>{{Cite pmid|33729819}}</ref> Could boron-containing compounds (BCCs) be effective against SARS-CoV-2 as anti-viral agent? #MMPMID33729819 Cetiner E; Sayin K; Tuzun B; Ataseven H Bratisl Lek Listy 2021[]; 122 (4): 263-269 PMID33729819show ga BACKGROUND: Seven dioxaborole compounds are investigated in this study. Structural and spectral characterizations are done at the M062X/6-31+G(d,p) level in water. Active sites of these compounds are determined by contour plots of frontier molecular orbital and molecular electrostatic potential (MEP) maps. Electrophilic and nucleophilic attack regions are determined. Since SARS-CoV-2 is a worldwide health problem, antiviral properties of studied boron-containing compounds are investigated by molecular docking calculations. In addition to these calculations, MM/PSBA calculations are performed. RESULTS AND CONCLUSION: It is found that the studied boron compounds can be good drug candidates against the main protease of SARS-CoV-2, while the best of them is 4,6-di-tert-butyl-2-(4-methoxyphenyl)benzo[d][1,3,2] dioxaborole (B2) (Tab. 3, Fig. 8, Ref. 23). |*Antiviral Agents/pharmacology/therapeutic use[MESH] |*COVID-19[MESH] |Boron[MESH] |Boron Compounds/pharmacology[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |SARS-CoV-2[MESH]Could boron-containing compounds (BCCs) be effective against SARS-CoV-(epmc).pdf DeepDyve Pubget Overpricing