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10.1002/minf.202000096 http://scihub22266oqcxt.onion/10.1002/minf.202000096 32750187!7436870!32750187     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=32750187&cmd=llinks): Failed to open stream: HTTP request failed! 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Insights on 3D Structures of Potential Drug-targeting Proteins of SARS-CoV-2: Application of Cavity Search and Molecular Docking |pdf=|usr=}}{{32750187}} gab.com Text Insights on 3D Structures of Potential Drug-targeting Proteins of SARS-CoV-2: Application of Cavity Search and Molecular Docking JO: Mol Inform http://www.kidney.de/pget.php?&tw=1&pmid=32750187 #FOAvip The emergence of the COVID-19 has caused public health problems worldwide and there is no effective pharmacological treatment for this disease. Research on 3D models of proteins and the search for active molecular sites are important tools to assist in the discovery of effective antiviral drugs to combat COVID-19. To address this problem, the 3D protein structures of SARS-CoV 2 were analyzed and submitted to cavities research, evaluation of their druggabillity and liganbility, and applied to molecular docking studies with potential ligand candidates actually assayed against COVID-19. Eight druggable potential cavity sites were determined in model structures' PDB code, 6W4B, 6VWW, 6W01, 6M3M, and 6VYO, and these are the good alternatives to be characterized as targets for antiviral compounds. The good cavity model of the protease 3D structure was used in molecular docking, and this allowed verifying the theoric interactions of this protein and lopinavir and ritonavir antiviral drugs. These results may assist in the use of 3D protein models in drug design studies aiming to develop drugs against the COVID-19 pandemic. Twit Text FOAVip Insights on 3D Structures of Potential Drug-targeting Proteins of SARS-CoV-2: Application of Cavity Search and Molecular Docking ????Mol Inform http://www.kidney.de/pget.php?&tw=1&pmid=32750187 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32750187 #FOAvip English Wikipedia <ref>{{Cite pmid|32750187}}</ref> Insights on 3D Structures of Potential Drug-targeting Proteins of SARS-CoV-2: Application of Cavity Search and Molecular Docking #MMPMID32750187 Fernandes MS; da Silva FS; Freitas ACSG; de Melo EB; Trossini GHG; Paula FR Mol Inform 2021[Feb]; 40 (2): e2000096 PMID32750187show ga The emergence of the COVID-19 has caused public health problems worldwide and there is no effective pharmacological treatment for this disease. Research on 3D models of proteins and the search for active molecular sites are important tools to assist in the discovery of effective antiviral drugs to combat COVID-19. To address this problem, the 3D protein structures of SARS-CoV 2 were analyzed and submitted to cavities research, evaluation of their druggabillity and liganbility, and applied to molecular docking studies with potential ligand candidates actually assayed against COVID-19. Eight druggable potential cavity sites were determined in model structures' PDB code, 6W4B, 6VWW, 6W01, 6M3M, and 6VYO, and these are the good alternatives to be characterized as targets for antiviral compounds. The good cavity model of the protease 3D structure was used in molecular docking, and this allowed verifying the theoric interactions of this protein and lopinavir and ritonavir antiviral drugs. These results may assist in the use of 3D protein models in drug design studies aiming to develop drugs against the COVID-19 pandemic. |*Molecular Docking Simulation[MESH] |Antiviral Agents/pharmacology[MESH] |COVID-19 Drug Treatment[MESH] |COVID-19/*virology[MESH] |Catalytic Domain[MESH] |Computer Simulation[MESH] |Coronavirus Nucleocapsid Proteins/chemistry[MESH] |Drug Design[MESH] |Humans[MESH] |Ligands[MESH] |Models, Molecular[MESH] |Phosphoproteins/chemistry[MESH] |Protein Binding[MESH] |Protein Conformation[MESH] |SARS-CoV-2/chemistry/*drug effects[MESH] |Spike Glycoprotein, Coronavirus/chemistry[MESH]Insights on 3D Structures of Potential Drug-targeting Proteins of SARS(epmc).pdf DeepDyve Pubget Overpricing