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10.2174/1566524020666200521075848 http://scihub22266oqcxt.onion/10.2174/1566524020666200521075848 32436829!ä!32436829 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Curr+Mol+Med 2021 ; 21 (8): 645-654 Nephropedia Template TP {{tp|p=32436829|t=2021. Triazavirin - Potential Inhibitor for 2019-nCoV Coronavirus M Protease: A DFT Study |pdf=|usr=}}{{32436829}} gab.com Text Triazavirin - Potential Inhibitor for 2019-nCoV Coronavirus M Protease: A DFT Study JO: Curr Mol Med http://www.kidney.de/pget.php?&tw=1&pmid=32436829 #FOAvip BACKGROUND: Triazavirin (2-methylsulfanyl-6-nitro[1,2,4]triazolo[5,1-c][1,2,4] triazin-7(4H)-one, TZV) is an antiviral drug synthesized. TZV is being investigated for potential application against the Coronavirus 2019-nCoV. AIMS AND OBJECTIVES: In order to find candidate drugs for 2019-nCoV, we have carried out a computational study to screen for effective available drug Triazavirin (C5H4N6O3S) which may work as inhibitor for the Mpro of 2019-nCoV. METHODS: In the present work, first time the molecular structure of title molecule has been investigated using Density Functional Theory (DFT/B3LYP/MidiX) in gas phase. RESULTS: The molecular HOMO-LUMO, excitation energies and oscillator strengths of investigated compound have also been calculated and presented. The interaction of TZV compound with the Coronavirus was performed by molecular docking studies. CONCLUSION: Therefore, TZV can be used for potential application against the Coronavirus 2019-nCoV. Twit Text FOAVip Triazavirin - Potential Inhibitor for 2019-nCoV Coronavirus M Protease: A DFT Study ????Curr Mol Med http://www.kidney.de/pget.php?&tw=1&pmid=32436829 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32436829 #FOAvip English Wikipedia <ref>{{Cite pmid|32436829}}</ref> Triazavirin - Potential Inhibitor for 2019-nCoV Coronavirus M Protease: A DFT Study #MMPMID32436829 Shahab S; Sheikhi M Curr Mol Med 2021[]; 21 (8): 645-654 PMID32436829show ga BACKGROUND: Triazavirin (2-methylsulfanyl-6-nitro[1,2,4]triazolo[5,1-c][1,2,4] triazin-7(4H)-one, TZV) is an antiviral drug synthesized. TZV is being investigated for potential application against the Coronavirus 2019-nCoV. AIMS AND OBJECTIVES: In order to find candidate drugs for 2019-nCoV, we have carried out a computational study to screen for effective available drug Triazavirin (C5H4N6O3S) which may work as inhibitor for the Mpro of 2019-nCoV. METHODS: In the present work, first time the molecular structure of title molecule has been investigated using Density Functional Theory (DFT/B3LYP/MidiX) in gas phase. RESULTS: The molecular HOMO-LUMO, excitation energies and oscillator strengths of investigated compound have also been calculated and presented. The interaction of TZV compound with the Coronavirus was performed by molecular docking studies. CONCLUSION: Therefore, TZV can be used for potential application against the Coronavirus 2019-nCoV. |*COVID-19 Drug Treatment[MESH] |COVID-19/virology[MESH] |Density Functional Theory[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Molecular Structure[MESH] |SARS-CoV-2/*drug effects[MESH] |Triazines/chemistry/*therapeutic use[MESH]Triazavirin - Potential Inhibitor for 2019-nCoV Coronavirus M Protease(epmc).pdf DeepDyve Pubget Overpricing