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10.1016/j.heliyon.2020.e05558 http://scihub22266oqcxt.onion/10.1016/j.heliyon.2020.e05558 33251371!7679114!33251371     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=33251371&cmd=llinks): Failed to open stream: HTTP request failed! 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Structure-based drug designing of naphthalene based SARS-CoV PLpro inhibitors for the treatment of COVID-19 |pdf=|usr=}}{{33251371}} gab.com Text Structure-based drug designing of naphthalene based SARS-CoV PLpro inhibitors for the treatment of COVID-19 JO: Heliyon http://www.kidney.de/pget.php?&tw=1&pmid=33251371 #FOAvip The emergence of Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has imposed a greater challenge for the world. Coronavirus has infected over 38.3 million people and caused millions of deaths worldwide. The COVID-19 outbreak has accentuated the need for additional efforts to develop broad-spectrum therapeutics to combat SARS-CoV-2 infection. In the current investigation, an attempt was made to design potential SARS-CoV PLpro inhibitors containing naphthalene and 3,4-dihydro-2H-pyran moieties connected via -NHCO- linker. The ligands obeyed Lipinski's rule and were found to have good drug-likeness and ADMET properties. Docking simulations confirmed strong binding affinity and inhibition potential of the designed ligands against the receptor SARS CoV-2 Papain-like protease (PLpro). LigandL10 incorporating the oxadiazole ring system displayed better binding affinity than the control 5-acetamido-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide. Further, the docked complex of LigandL10 was subjected to molecular dynamics (MD) simulation to examine the molecular mechanisms of protein-ligand interactions. The results of the present study are encouraging. Ligand L10 emerged as the most potent ligand in the series and could be considered for further research for the development of potential therapeutics for the treatment of COVID-19. Twit Text FOAVip Structure-based drug designing of naphthalene based SARS-CoV PLpro inhibitors for the treatment of COVID-19 ????Heliyon http://www.kidney.de/pget.php?&tw=1&pmid=33251371 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33251371 #FOAvip English Wikipedia <ref>{{Cite pmid|33251371}}</ref> Structure-based drug designing of naphthalene based SARS-CoV PLpro inhibitors for the treatment of COVID-19 #MMPMID33251371 Bhati S Heliyon 2020[Nov]; 6 (11): e05558 PMID33251371show ga The emergence of Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has imposed a greater challenge for the world. Coronavirus has infected over 38.3 million people and caused millions of deaths worldwide. The COVID-19 outbreak has accentuated the need for additional efforts to develop broad-spectrum therapeutics to combat SARS-CoV-2 infection. In the current investigation, an attempt was made to design potential SARS-CoV PLpro inhibitors containing naphthalene and 3,4-dihydro-2H-pyran moieties connected via -NHCO- linker. The ligands obeyed Lipinski's rule and were found to have good drug-likeness and ADMET properties. Docking simulations confirmed strong binding affinity and inhibition potential of the designed ligands against the receptor SARS CoV-2 Papain-like protease (PLpro). LigandL10 incorporating the oxadiazole ring system displayed better binding affinity than the control 5-acetamido-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide. Further, the docked complex of LigandL10 was subjected to molecular dynamics (MD) simulation to examine the molecular mechanisms of protein-ligand interactions. The results of the present study are encouraging. Ligand L10 emerged as the most potent ligand in the series and could be considered for further research for the development of potential therapeutics for the treatment of COVID-19. äStructure-based drug designing of naphthalene based SARS-CoV PLpro inh(epmc).pdf DeepDyve Pubget Overpricing