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10.3390/ijms22031398 http://scihub22266oqcxt.onion/10.3390/ijms22031398 33573283!7866854!33573283     free     free     free Deprecated: Implicit conversion from float 227.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 227.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 227.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 227.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 227.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 227.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 227.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 261.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 261.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Int+J+Mol+Sci 2021 ; 22 (3): ä Nephropedia Template TP {{tp|p=33573283|t=2021. Pseudo-Dipeptide Bearing alpha,alpha-Difluoromethyl Ketone Moiety as Electrophilic Warhead with Activity against Coronaviruses |pdf=|usr=}}{{33573283}} gab.com Text Pseudo-Dipeptide Bearing alpha,alpha-Difluoromethyl Ketone Moiety as Electrophilic Warhead with Activity against Coronaviruses JO: Int J Mol Sci http://www.kidney.de/pget.php?&tw=1&pmid=33573283 #FOAvip The synthesis of alpha-fluorinated methyl ketones has always been challenging. New methods based on the homologation chemistry via nucleophilic halocarbenoid transfer, carried out recently in our labs, allowed us to design and synthesize a target-directed dipeptidyl alpha,alpha-difluoromethyl ketone (DFMK) 8 as a potential antiviral agent with activity against human coronaviruses. The ability of the newly synthesized compound to inhibit viral replication was evaluated by a viral cytopathic effect (CPE)-based assay performed on MCR5 cells infected with one of the four human coronaviruses associated with respiratory distress, i.e., hCoV-229E, showing antiproliferative activity in the micromolar range (EC(50) = 12.9 +/- 1.22 microM), with a very low cytotoxicity profile (CC(50) = 170 +/- 3.79 microM, 307 +/- 11.63 microM, and 174 +/- 7.6 microM for A549, human embryonic lung fibroblasts (HELFs), and MRC5 cells, respectively). Docking and molecular dynamics simulations studies indicated that 8 efficaciously binds to the intended target hCoV-229E main protease (M(pro)). Moreover, due to the high similarity between hCoV-229E M(pro) and SARS-CoV-2 M(pro), we also performed the in silico analysis towards the second target, which showed results comparable to those obtained for hCoV-229E M(pro) and promising in terms of energy of binding and docking pose. Twit Text FOAVip Pseudo-Dipeptide Bearing alpha,alpha-Difluoromethyl Ketone Moiety as Electrophilic Warhead with Activity against Coronaviruses ????Int J Mol Sci http://www.kidney.de/pget.php?&tw=1&pmid=33573283 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33573283 #FOAvip English Wikipedia <ref>{{Cite pmid|33573283}}</ref> Pseudo-Dipeptide Bearing alpha,alpha-Difluoromethyl Ketone Moiety as Electrophilic Warhead with Activity against Coronaviruses #MMPMID33573283 Citarella A; Gentile D; Rescifina A; Piperno A; Mognetti B; Gribaudo G; Sciortino MT; Holzer W; Pace V; Micale N Int J Mol Sci 2021[Jan]; 22 (3): ä PMID33573283show ga The synthesis of alpha-fluorinated methyl ketones has always been challenging. New methods based on the homologation chemistry via nucleophilic halocarbenoid transfer, carried out recently in our labs, allowed us to design and synthesize a target-directed dipeptidyl alpha,alpha-difluoromethyl ketone (DFMK) 8 as a potential antiviral agent with activity against human coronaviruses. The ability of the newly synthesized compound to inhibit viral replication was evaluated by a viral cytopathic effect (CPE)-based assay performed on MCR5 cells infected with one of the four human coronaviruses associated with respiratory distress, i.e., hCoV-229E, showing antiproliferative activity in the micromolar range (EC(50) = 12.9 +/- 1.22 microM), with a very low cytotoxicity profile (CC(50) = 170 +/- 3.79 microM, 307 +/- 11.63 microM, and 174 +/- 7.6 microM for A549, human embryonic lung fibroblasts (HELFs), and MRC5 cells, respectively). Docking and molecular dynamics simulations studies indicated that 8 efficaciously binds to the intended target hCoV-229E main protease (M(pro)). Moreover, due to the high similarity between hCoV-229E M(pro) and SARS-CoV-2 M(pro), we also performed the in silico analysis towards the second target, which showed results comparable to those obtained for hCoV-229E M(pro) and promising in terms of energy of binding and docking pose. |A549 Cells[MESH] |Antiviral Agents/*chemistry/pharmacology[MESH] |Binding Sites[MESH] |COVID-19/pathology/virology[MESH] |Cell Line[MESH] |Coronavirus 229E, Human/*metabolism[MESH] |Coronavirus M Proteins/chemistry/metabolism[MESH] |Dipeptides/*chemistry[MESH] |Humans[MESH] |Ketones/*chemistry[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |SARS-CoV-2/isolation & purification/metabolism[MESH] |Thermodynamics[MESH] |Viral Matrix Proteins/chemistry/metabolism[MESH]Pseudo-Dipeptide Bearing alpha,alpha-Difluoromethyl Ketone Moiety as E(epmc).pdf DeepDyve Pubget Overpricing