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10.1080/1062936X.2020.1857437 http://scihub22266oqcxt.onion/10.1080/1062936X.2020.1857437 33401979!ä!33401979 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 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       SAR+QSAR+Environ+Res 2021 ; 32 (1): 51-70 Nephropedia Template TP {{tp|p=33401979|t=2021. Using in silico modelling and FRET-based assays in the discovery of novel FDA-approved drugs as inhibitors of MERS-CoV helicase |pdf=|usr=}}{{33401979}} gab.com Text Using in silico modelling and FRET-based assays in the discovery of novel FDA-approved drugs as inhibitors of MERS-CoV helicase JO: SAR QSAR Environ Res http://www.kidney.de/pget.php?&tw=1&pmid=33401979 #FOAvip A Forster resonance energy transfer (FRET)-based assay was used to screen the FDA-approved compound library against the MERS-CoV helicase, an essential enzyme for virus replication within the host cell. Five compounds inhibited the helicase activity with submicromolar potencies (IC(50), 0.73-1.65 microM) and ten compounds inhibited the enzyme with micromolar potencies (IC(50), 19.6-502 microM). The molecular operating environment (MOE) was used to dock the identified inhibitors on the MERS-CoV helicase nucleotide binding. Strong inhibitors docked well in the nucleotide-binding site and established interactions with some of the essential residues. There was a reasonable correlation between the observed IC(50) values and the MOE docking scores of the strong inhibitors (r (2) = 0.74), indicating the ability of the in silico docking model to predict the binding of strong inhibitors. In silico docking could be a useful complementary tool used with the FRET-based assay to predict new MERS-CoV helicase inhibitors. The identified inhibitors could potentially be used in the clinical development of new antiviral treatment for MERS-CoV and other coronavirus related diseases, including coronavirus disease 2019 (COVID-19). Twit Text FOAVip Using in silico modelling and FRET-based assays in the discovery of novel FDA-approved drugs as inhibitors of MERS-CoV helicase ????SAR QSAR Environ Res http://www.kidney.de/pget.php?&tw=1&pmid=33401979 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33401979 #FOAvip English Wikipedia <ref>{{Cite pmid|33401979}}</ref> Using in silico modelling and FRET-based assays in the discovery of novel FDA-approved drugs as inhibitors of MERS-CoV helicase #MMPMID33401979 Mehyar N; Mashhour A; Islam I; Gul S; Adedeji AO; Askar AS; Boudjelal M SAR QSAR Environ Res 2021[Jan]; 32 (1): 51-70 PMID33401979show ga A Forster resonance energy transfer (FRET)-based assay was used to screen the FDA-approved compound library against the MERS-CoV helicase, an essential enzyme for virus replication within the host cell. Five compounds inhibited the helicase activity with submicromolar potencies (IC(50), 0.73-1.65 microM) and ten compounds inhibited the enzyme with micromolar potencies (IC(50), 19.6-502 microM). The molecular operating environment (MOE) was used to dock the identified inhibitors on the MERS-CoV helicase nucleotide binding. Strong inhibitors docked well in the nucleotide-binding site and established interactions with some of the essential residues. There was a reasonable correlation between the observed IC(50) values and the MOE docking scores of the strong inhibitors (r (2) = 0.74), indicating the ability of the in silico docking model to predict the binding of strong inhibitors. In silico docking could be a useful complementary tool used with the FRET-based assay to predict new MERS-CoV helicase inhibitors. The identified inhibitors could potentially be used in the clinical development of new antiviral treatment for MERS-CoV and other coronavirus related diseases, including coronavirus disease 2019 (COVID-19). |*COVID-19 Drug Treatment[MESH] |Antiviral Agents/*chemistry/*therapeutic use[MESH] |Coronavirus Infections/*drug therapy[MESH] |DNA Helicases/*drug effects[MESH] |Enzyme Inhibitors/*pharmacokinetics[MESH] |Humans[MESH] |Middle East Respiratory Syndrome Coronavirus/*drug effects[MESH] |Quantitative Structure-Activity Relationship[MESH] |SARS-CoV-2/drug effects[MESH]Using in silico modelling and FRET-based assays in the discovery of no(epmc).pdf DeepDyve Pubget Overpricing