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10.1002/jcc.26512 http://scihub22266oqcxt.onion/10.1002/jcc.26512 33713492!8250597!33713492     free     free     free Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Comput+Chem 2021 ; 42 (13): 897-907 Nephropedia Template TP {{tp|p=33713492|t=2021. Drug repositioning to target NSP15 protein on SARS-CoV-2 as possible COVID-19 treatment |pdf=|usr=}}{{33713492}} gab.com Text Drug repositioning to target NSP15 protein on SARS-CoV-2 as possible COVID-19 treatment JO: J Comput Chem http://www.kidney.de/pget.php?&tw=1&pmid=33713492 #FOAvip SARS-CoV and SARS-CoV-2 belong to the subfamily Coronaviridae and infect humans, they are constituted by four structural proteins: Spike glycoprotein (S), membrane (M), envelope (E) and nucleocapsid (N), and nonstructural proteins, such as Nsp15 protein which is exclusively present on nidoviruses and is absent in other RNA viruses, making it an ideal target in the field of drug design. A virtual screening strategy to search for potential drugs was proposed, using molecular docking to explore a library of approved drugs available in the DrugBank database in order to identify possible NSP15 inhibitors to treat Covid19 disease. We found from the docking analysis that the antiviral drugs: Paritaprevir and Elbasvir, currently both approved for hepatitis C treatment which showed some of the lowest free binding energy values were considered as repositioning drugs to combat SARS-CoV-2. Furthermore, molecular dynamics simulations of the Apo and Holo-Nsp15 systems were performed in order to get insights about the stability of these protein-ligand complexes. Twit Text FOAVip Drug repositioning to target NSP15 protein on SARS-CoV-2 as possible COVID-19 treatment ????J Comput Chem http://www.kidney.de/pget.php?&tw=1&pmid=33713492 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33713492 #FOAvip English Wikipedia <ref>{{Cite pmid|33713492}}</ref> Drug repositioning to target NSP15 protein on SARS-CoV-2 as possible COVID-19 treatment #MMPMID33713492 Sixto-Lopez Y; Martinez-Archundia M J Comput Chem 2021[May]; 42 (13): 897-907 PMID33713492show ga SARS-CoV and SARS-CoV-2 belong to the subfamily Coronaviridae and infect humans, they are constituted by four structural proteins: Spike glycoprotein (S), membrane (M), envelope (E) and nucleocapsid (N), and nonstructural proteins, such as Nsp15 protein which is exclusively present on nidoviruses and is absent in other RNA viruses, making it an ideal target in the field of drug design. A virtual screening strategy to search for potential drugs was proposed, using molecular docking to explore a library of approved drugs available in the DrugBank database in order to identify possible NSP15 inhibitors to treat Covid19 disease. We found from the docking analysis that the antiviral drugs: Paritaprevir and Elbasvir, currently both approved for hepatitis C treatment which showed some of the lowest free binding energy values were considered as repositioning drugs to combat SARS-CoV-2. Furthermore, molecular dynamics simulations of the Apo and Holo-Nsp15 systems were performed in order to get insights about the stability of these protein-ligand complexes. |*COVID-19 Drug Treatment[MESH] |Antiviral Agents/*pharmacology[MESH] |Benzofurans/*pharmacology[MESH] |COVID-19/virology[MESH] |Cyclopropanes/*pharmacology[MESH] |Drug Repositioning[MESH] |Endoribonucleases/*antagonists & inhibitors/metabolism[MESH] |Humans[MESH] |Imidazoles/*pharmacology[MESH] |Lactams, Macrocyclic/*pharmacology[MESH] |Molecular Docking Simulation[MESH] |Molecular Targeted Therapy[MESH] |Proline/*analogs & derivatives/pharmacology[MESH] |SARS-CoV-2/*drug effects/metabolism[MESH] |Sulfonamides/*pharmacology[MESH]Drug repositioning to target NSP15 protein on SARS-CoV-2 as possible C(epmc).pdf DeepDyve Pubget Overpricing