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10.1007/s11030-020-10166-3 http://scihub22266oqcxt.onion/10.1007/s11030-020-10166-3 33400085!7782049!33400085     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=33400085&cmd=llinks): Failed to open stream: HTTP request failed! 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First structure-activity relationship analysis of SARS-CoV-2 virus main protease (Mpro) inhibitors: an endeavor on COVID-19 drug discovery |pdf=|usr=}}{{33400085}} gab.com Text First structure-activity relationship analysis of SARS-CoV-2 virus main protease (Mpro) inhibitors: an endeavor on COVID-19 drug discovery JO: Mol Divers http://www.kidney.de/pget.php?&tw=1&pmid=33400085 #FOAvip Main protease (Mpro) of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) intervenes in the replication and transcription processes of the virus. Hence, it is a lucrative target for anti-viral drug development. In this study, molecular modeling analyses were performed on the structure activity data of recently reported diverse SARS-CoV-2 Mpro inhibitors to understand the structural requirements for higher inhibitory activity. The classification-based quantitative structure-activity relationship (QSAR) models were generated between SARS-CoV-2 Mpro inhibitory activities and different descriptors. Identification of structural fingerprints to increase or decrease in the inhibitory activity was mapped for possible inclusion/exclusion of these fingerprints in the lead optimization process. Challenges in ADME properties of protease inhibitors were also discussed to overcome the problems of oral bioavailability. Further, depending on the modeling results, we have proposed novel as well as potent SARS-CoV-2 Mpro inhibitors. Twit Text FOAVip First structure-activity relationship analysis of SARS-CoV-2 virus main protease (Mpro) inhibitors: an endeavor on COVID-19 drug discovery ????Mol Divers http://www.kidney.de/pget.php?&tw=1&pmid=33400085 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33400085 #FOAvip English Wikipedia <ref>{{Cite pmid|33400085}}</ref> First structure-activity relationship analysis of SARS-CoV-2 virus main protease (Mpro) inhibitors: an endeavor on COVID-19 drug discovery #MMPMID33400085 Amin SA; Banerjee S; Singh S; Qureshi IA; Gayen S; Jha T Mol Divers 2021[Aug]; 25 (3): 1827-1838 PMID33400085show ga Main protease (Mpro) of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) intervenes in the replication and transcription processes of the virus. Hence, it is a lucrative target for anti-viral drug development. In this study, molecular modeling analyses were performed on the structure activity data of recently reported diverse SARS-CoV-2 Mpro inhibitors to understand the structural requirements for higher inhibitory activity. The classification-based quantitative structure-activity relationship (QSAR) models were generated between SARS-CoV-2 Mpro inhibitory activities and different descriptors. Identification of structural fingerprints to increase or decrease in the inhibitory activity was mapped for possible inclusion/exclusion of these fingerprints in the lead optimization process. Challenges in ADME properties of protease inhibitors were also discussed to overcome the problems of oral bioavailability. Further, depending on the modeling results, we have proposed novel as well as potent SARS-CoV-2 Mpro inhibitors. |Biological Availability[MESH] |Coronavirus 3C Proteases/*antagonists & inhibitors/chemistry[MESH] |Models, Molecular[MESH] |Protease Inhibitors/*chemistry/pharmacokinetics/*pharmacology[MESH] |Protein Conformation[MESH] |SARS-CoV-2/drug effects/*enzymology[MESH]First structure-activity relationship analysis of SARS-CoV-2 virus mai(epmc).pdf DeepDyve Pubget Overpricing