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10.1126/sciadv.abb8097 http://scihub22266oqcxt.onion/10.1126/sciadv.abb8097 32691011!7319274!32691011     free     free     free Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Sci+Adv 2020 ; 6 (28): eabb8097 Nephropedia Template TP {{tp|p=32691011|t=2020. Structure-based drug designing and immunoinformatics approach for SARS-CoV-2 |pdf=|usr=}}{{32691011}} gab.com Text Structure-based drug designing and immunoinformatics approach for SARS-CoV-2 JO: Sci Adv http://www.kidney.de/pget.php?&tw=1&pmid=32691011 #FOAvip The prevalence of respiratory illness caused by the novel SARS-CoV-2 virus associated with multiple organ failures is spreading rapidly because of its contagious human-to-human transmission and inadequate globalhealth care systems. Pharmaceutical repurposing, an effective drug development technique using existing drugs, could shorten development time and reduce costs compared to those of de novo drug discovery. We carried out virtual screening of antiviral compounds targeting the spike glycoprotein (S), main protease (M(pro)), and the SARS-CoV-2 receptor binding domain (RBD)-angiotensin-converting enzyme 2 (ACE2) complex of SARS-CoV-2. PC786, an antiviral polymerase inhibitor, showed enhanced binding affinity to all the targets. Furthermore, the postfusion conformation of the trimeric S protein RBD with ACE2 revealed conformational changes associated with PC786 drug binding. Exploiting immunoinformatics to identify T cell and B cell epitopes could guide future experimental studies with a higher probability of discovering appropriate vaccine candidates with fewer experiments and higher reliability. Twit Text FOAVip Structure-based drug designing and immunoinformatics approach for SARS-CoV-2 ????Sci Adv http://www.kidney.de/pget.php?&tw=1&pmid=32691011 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32691011 #FOAvip English Wikipedia <ref>{{Cite pmid|32691011}}</ref> Structure-based drug designing and immunoinformatics approach for SARS-CoV-2 #MMPMID32691011 Panda PK; Arul MN; Patel P; Verma SK; Luo W; Rubahn HG; Mishra YK; Suar M; Ahuja R Sci Adv 2020[Jul]; 6 (28): eabb8097 PMID32691011show ga The prevalence of respiratory illness caused by the novel SARS-CoV-2 virus associated with multiple organ failures is spreading rapidly because of its contagious human-to-human transmission and inadequate globalhealth care systems. Pharmaceutical repurposing, an effective drug development technique using existing drugs, could shorten development time and reduce costs compared to those of de novo drug discovery. We carried out virtual screening of antiviral compounds targeting the spike glycoprotein (S), main protease (M(pro)), and the SARS-CoV-2 receptor binding domain (RBD)-angiotensin-converting enzyme 2 (ACE2) complex of SARS-CoV-2. PC786, an antiviral polymerase inhibitor, showed enhanced binding affinity to all the targets. Furthermore, the postfusion conformation of the trimeric S protein RBD with ACE2 revealed conformational changes associated with PC786 drug binding. Exploiting immunoinformatics to identify T cell and B cell epitopes could guide future experimental studies with a higher probability of discovering appropriate vaccine candidates with fewer experiments and higher reliability. |*Drug Design[MESH] |Angiotensin-Converting Enzyme 2[MESH] |Antiviral Agents/*pharmacology[MESH] |Benzamides[MESH] |Benzazepines[MESH] |Betacoronavirus/drug effects/*immunology/metabolism[MESH] |Binding Sites[MESH] |COVID-19[MESH] |Coronavirus 3C Proteases[MESH] |Coronavirus Infections/immunology/*prevention & control/virology[MESH] |Cysteine Endopeptidases/*chemistry/immunology/metabolism[MESH] |Drug Evaluation, Preclinical[MESH] |Epitopes, B-Lymphocyte/drug effects/immunology[MESH] |Epitopes, T-Lymphocyte/drug effects/immunology[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Pandemics/*prevention & control[MESH] |Peptidyl-Dipeptidase A/*chemistry/immunology/metabolism[MESH] |Pneumonia, Viral/immunology/*prevention & control/virology[MESH] |Protein Binding[MESH] |Protein Conformation[MESH] |Protein Domains[MESH] |Protein Interaction Domains and Motifs[MESH] |SARS-CoV-2[MESH] |Spike Glycoprotein, Coronavirus/*chemistry/immunology/metabolism[MESH] |Spiro Compounds/pharmacology[MESH]Structure-based drug designing and immunoinformatics approach for SARS(epmc).pdf DeepDyve Pubget Overpricing