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10.1080/07391102.2020.1778538 http://scihub22266oqcxt.onion/10.1080/07391102.2020.1778538 32567501!7332871!32567501     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 Deprecated: Implicit conversion from float 245.2 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 Deprecated: Implicit conversion from float 245.2 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 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 2021 ; 39 (13): 4610-4617 Nephropedia Template TP {{tp|p=32567501|t=2021. Constituents of buriti oil (Mauritia flexuosa L ) like inhibitors of the SARS-Coronavirus main peptidase: an investigation by docking and molecular dynamics |pdf=|usr=}}{{32567501}} gab.com Text Constituents of buriti oil (Mauritia flexuosa L ) like inhibitors of the SARS-Coronavirus main peptidase: an investigation by docking and molecular dynamics JO: J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=32567501 #FOAvip Statistics show alarming numbers of infected and killed in the world, caused by the Covid-19 pandemic, which still doesn't have a specific treatment and effective in combating all efforts to seek treatments and medications against this disease. Natural products are of relevant interest in the search for new drugs. Thus, Buriti oil (Mauritia flexuosa L.) is a natural product extracted from the fruit of the palm and is quite common in the legal Amazon region, Brazil. In the present work, the anti-Covid-19 biological activity of some constituents of Buriti oil was investigated using in silico methods of Molecular Docking and Molecular Dynamics Simulations. The main results of Molecular Docking revealed favorable interaction energies in the formation of the 2GTB peptidase complex (main peptidase of SARS-CoV) with the 13-cis-beta-carotene ligands (DeltaG(bind) = -10.23Kcal mol(-1)), 9-cis -beta-carotene (DeltaG(bind) = -9.82Kcal mol(-1)), and alpha-carotene (DeltaG(bind) = -8.34Kcal mol(-1)). Molecular Dynamics simulations demonstrated considerable interaction for these ligands with emphasis on alpha-carotene. Such theoretical results encourage and enable a direction for experimental studies in vitro and in vivo, essential in the development of new drugs with enzymatic inhibitory action for Covid-19.Communicated by Ramaswamy H. Sarma. Twit Text FOAVip Constituents of buriti oil (Mauritia flexuosa L ) like inhibitors of the SARS-Coronavirus main peptidase: an investigation by docking and molecular dynamics ????J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=32567501 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32567501 #FOAvip English Wikipedia <ref>{{Cite pmid|32567501}}</ref> Constituents of buriti oil (Mauritia flexuosa L ) like inhibitors of the SARS-Coronavirus main peptidase: an investigation by docking and molecular dynamics #MMPMID32567501 Costa AN; de Sa ERA; Bezerra RDS; Souza JL; Lima FDCA J Biomol Struct Dyn 2021[Aug]; 39 (13): 4610-4617 PMID32567501show ga Statistics show alarming numbers of infected and killed in the world, caused by the Covid-19 pandemic, which still doesn't have a specific treatment and effective in combating all efforts to seek treatments and medications against this disease. Natural products are of relevant interest in the search for new drugs. Thus, Buriti oil (Mauritia flexuosa L.) is a natural product extracted from the fruit of the palm and is quite common in the legal Amazon region, Brazil. In the present work, the anti-Covid-19 biological activity of some constituents of Buriti oil was investigated using in silico methods of Molecular Docking and Molecular Dynamics Simulations. The main results of Molecular Docking revealed favorable interaction energies in the formation of the 2GTB peptidase complex (main peptidase of SARS-CoV) with the 13-cis-beta-carotene ligands (DeltaG(bind) = -10.23Kcal mol(-1)), 9-cis -beta-carotene (DeltaG(bind) = -9.82Kcal mol(-1)), and alpha-carotene (DeltaG(bind) = -8.34Kcal mol(-1)). Molecular Dynamics simulations demonstrated considerable interaction for these ligands with emphasis on alpha-carotene. Such theoretical results encourage and enable a direction for experimental studies in vitro and in vivo, essential in the development of new drugs with enzymatic inhibitory action for Covid-19.Communicated by Ramaswamy H. Sarma. |*COVID-19[MESH] |*Severe acute respiratory syndrome-related coronavirus[MESH] |Carotenoids[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Pandemics[MESH] |Peptide Hydrolases[MESH] |Plant Oils[MESH]Constituents of buriti oil (Mauritia flexuosa L ) like inhibitors of t(epmc).pdf DeepDyve Pubget Overpricing