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10.1002/minf.202060080 http://scihub22266oqcxt.onion/10.1002/minf.202060080 33904240!8206717!33904240     free     free     free 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       Mol+Inform 2021 ; 40 (6): e2060080 Nephropedia Template TP {{tp|p=33904240|t=2021. Targeting SARS-CoV-2 Spike Protein/ACE2 Protein-Protein Interactions: a Computational Study |pdf=|usr=}}{{33904240}} gab.com Text Targeting SARS-CoV-2 Spike Protein/ACE2 Protein-Protein Interactions: a Computational Study JO: Mol Inform http://www.kidney.de/pget.php?&tw=1&pmid=33904240 #FOAvip The spike glycoprotein (S) of the SARS-CoV-2 virus surface plays a key role in receptor binding and virus entry. The S protein uses the angiotensin converting enzyme (ACE2) for entry into the host cell and binding to ACE2 occurs at the receptor binding domain (RBD) of the S protein. Therefore, the protein-protein interactions (PPIs) between the SARS-CoV-2 RBD and human ACE2, could be attractive therapeutic targets for drug discovery approaches designed to inhibit the entry of SARS-CoV-2 into the host cells. Herein, with the support of machine learning approaches, we report structure-based virtual screening as an effective strategy to discover PPIs inhibitors from ZINC database. The proposed computational protocol led to the identification of a promising scaffold which was selected for subsequent binding mode analysis and that can represent a useful starting point for the development of new treatments of the SARS-CoV-2 infection. Twit Text FOAVip Targeting SARS-CoV-2 Spike Protein/ACE2 Protein-Protein Interactions: a Computational Study ????Mol Inform http://www.kidney.de/pget.php?&tw=1&pmid=33904240 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33904240 #FOAvip English Wikipedia <ref>{{Cite pmid|33904240}}</ref> Targeting SARS-CoV-2 Spike Protein/ACE2 Protein-Protein Interactions: a Computational Study #MMPMID33904240 Pirolli D; Righino B; De Rosa MC Mol Inform 2021[Jun]; 40 (6): e2060080 PMID33904240show ga The spike glycoprotein (S) of the SARS-CoV-2 virus surface plays a key role in receptor binding and virus entry. The S protein uses the angiotensin converting enzyme (ACE2) for entry into the host cell and binding to ACE2 occurs at the receptor binding domain (RBD) of the S protein. Therefore, the protein-protein interactions (PPIs) between the SARS-CoV-2 RBD and human ACE2, could be attractive therapeutic targets for drug discovery approaches designed to inhibit the entry of SARS-CoV-2 into the host cells. Herein, with the support of machine learning approaches, we report structure-based virtual screening as an effective strategy to discover PPIs inhibitors from ZINC database. The proposed computational protocol led to the identification of a promising scaffold which was selected for subsequent binding mode analysis and that can represent a useful starting point for the development of new treatments of the SARS-CoV-2 infection. |*COVID-19 Drug Treatment[MESH] |Angiotensin-Converting Enzyme 2/*metabolism[MESH] |Antiviral Agents/chemistry/*pharmacology[MESH] |COVID-19/metabolism[MESH] |Drug Delivery Systems[MESH] |Drug Discovery[MESH] |Host-Pathogen Interactions/drug effects[MESH] |Humans[MESH] |Machine Learning[MESH] |Molecular Docking Simulation[MESH] |Protein Interaction Maps/*drug effects[MESH] |SARS-CoV-2/*drug effects/physiology[MESH] |Spike Glycoprotein, Coronavirus/*metabolism[MESH]Targeting SARS-CoV-2 Spike Protein/ACE2 Protein-Protein Interactions: (epmc).pdf DeepDyve Pubget Overpricing