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10.1016/j.imu.2020.100345 http://scihub22266oqcxt.onion/10.1016/j.imu.2020.100345 32395606!7211761!32395606     free     free     free Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 267.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 267.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Inform+Med+Unlocked 2020 ; 19 (ä): 100345 Nephropedia Template TP {{tp|p=32395606|t=2020. Molecular docking and dynamic simulations for antiviral compounds against SARS-CoV-2: A computational study |pdf=|usr=}}{{32395606}} gab.com Text Molecular docking and dynamic simulations for antiviral compounds against SARS-CoV-2: A computational study JO: Inform Med Unlocked http://www.kidney.de/pget.php?&tw=1&pmid=32395606 #FOAvip The aim of this study was to develop an appropriate anti-viral drug against the SARS-CoV-2 virus. An immediately qualifying strategy would be to use existing powerful drugs from various virus treatments. The strategy in virtual screening of antiviral databases for possible therapeutic effect would be to identify promising drug molecules, as there is currently no vaccine or treatment approved against COVID-19. Targeting the main protease (pdb id: 6LU7) is gaining importance in anti-CoV drug design. In this conceptual context, an attempt has been made to suggest an in silico computational relationship between US-FDA approved drugs, plant-derived natural drugs, and Coronavirus main protease (6LU7) protein. The evaluation of results was made based on Glide (Schrodinger) dock score. Out of 62 screened compounds, the best docking scores with the targets were found for compounds: lopinavir, amodiaquine, and theaflavin digallate (TFDG). Molecular dynamic (MD) simulation study was also performed for 20 ns to confirm the stability behaviour of the main protease and inhibitor complexes. The MD simulation study validated the stability of three compounds in the protein binding pocket as potent binders. Twit Text FOAVip Molecular docking and dynamic simulations for antiviral compounds against SARS-CoV-2: A computational study ????Inform Med Unlocked http://www.kidney.de/pget.php?&tw=1&pmid=32395606 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32395606 #FOAvip English Wikipedia <ref>{{Cite pmid|32395606}}</ref> Molecular docking and dynamic simulations for antiviral compounds against SARS-CoV-2: A computational study #MMPMID32395606 Peele KA; Potla Durthi C; Srihansa T; Krupanidhi S; Ayyagari VS; Babu DJ; Indira M; Reddy AR; Venkateswarulu TC Inform Med Unlocked 2020[]; 19 (ä): 100345 PMID32395606show ga The aim of this study was to develop an appropriate anti-viral drug against the SARS-CoV-2 virus. An immediately qualifying strategy would be to use existing powerful drugs from various virus treatments. The strategy in virtual screening of antiviral databases for possible therapeutic effect would be to identify promising drug molecules, as there is currently no vaccine or treatment approved against COVID-19. Targeting the main protease (pdb id: 6LU7) is gaining importance in anti-CoV drug design. In this conceptual context, an attempt has been made to suggest an in silico computational relationship between US-FDA approved drugs, plant-derived natural drugs, and Coronavirus main protease (6LU7) protein. The evaluation of results was made based on Glide (Schrodinger) dock score. Out of 62 screened compounds, the best docking scores with the targets were found for compounds: lopinavir, amodiaquine, and theaflavin digallate (TFDG). Molecular dynamic (MD) simulation study was also performed for 20 ns to confirm the stability behaviour of the main protease and inhibitor complexes. The MD simulation study validated the stability of three compounds in the protein binding pocket as potent binders. äMolecular docking and dynamic simulations for antiviral compounds agai(epmc).pdf DeepDyve Pubget Overpricing