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10.1080/07391102.2020.1821779 http://scihub22266oqcxt.onion/10.1080/07391102.2020.1821779 32954984!7544940!32954984     free     free     free 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 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 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Biomol+Struct+Dyn 2022 ; 40 (3): 1010-1036 Nephropedia Template TP {{tp|p=32954984|t=2022. In silico modeling for quick prediction of inhibitory activity against 3CL(pro) enzyme in SARS CoV diseases |pdf=|usr=}}{{32954984}} gab.com Text In silico modeling for quick prediction of inhibitory activity against 3CL(pro) enzyme in SARS CoV diseases JO: J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=32954984 #FOAvip As of 2 September 2020, the 2019 novel coronavirus or SARS CoV-2 has been responsible for more than 2,56,02,665 infections and 8,52,768 deaths worldwide. There has been an urgent need of newer drug discovery to tackle the situation. Severe acute respiratory syndrome-associated coronavirus 3C-like protease (or 3CL(pro)) is a potential target as anti-SARS agents as it plays a vital role in the viral life cycle. This study aims at developing a quantitative structure-activity relationship (QSAR) model against a group of 3CL(pro) inhibitors to study their structural requirements for their inhibitory activity. Further, molecular docking studies were carried out which helped in the justification of the QSAR findings. Moreover, molecular dynamics simulation study was performed for selected compounds to check the stability of interactions as suggested by the docking analysis. The current QSAR model was further used in the prediction and screening of large databases within a short time.Communicated by Ramaswamy H. Sarma. Twit Text FOAVip In silico modeling for quick prediction of inhibitory activity against 3CL(pro) enzyme in SARS CoV diseases ????J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=32954984 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32954984 #FOAvip English Wikipedia <ref>{{Cite pmid|32954984}}</ref> In silico modeling for quick prediction of inhibitory activity against 3CL(pro) enzyme in SARS CoV diseases #MMPMID32954984 De P; Bhayye S; Kumar V; Roy K J Biomol Struct Dyn 2022[Feb]; 40 (3): 1010-1036 PMID32954984show ga As of 2 September 2020, the 2019 novel coronavirus or SARS CoV-2 has been responsible for more than 2,56,02,665 infections and 8,52,768 deaths worldwide. There has been an urgent need of newer drug discovery to tackle the situation. Severe acute respiratory syndrome-associated coronavirus 3C-like protease (or 3CL(pro)) is a potential target as anti-SARS agents as it plays a vital role in the viral life cycle. This study aims at developing a quantitative structure-activity relationship (QSAR) model against a group of 3CL(pro) inhibitors to study their structural requirements for their inhibitory activity. Further, molecular docking studies were carried out which helped in the justification of the QSAR findings. Moreover, molecular dynamics simulation study was performed for selected compounds to check the stability of interactions as suggested by the docking analysis. The current QSAR model was further used in the prediction and screening of large databases within a short time.Communicated by Ramaswamy H. Sarma. |*COVID-19[MESH] |*Protease Inhibitors/pharmacology[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH]In silico modeling for quick prediction of inhibitory activity against(epmc).pdf DeepDyve Pubget Overpricing