{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Herlah B"],"funding":["Slovenian Research Agency","Slovenian Research Agency ARRS"],"pagination":["539"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9145702"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["15(5)"],"pubmed_abstract":["The emergence of SARS-CoV-2, responsible for the global COVID-19 pandemic, requires the rapid development of novel antiviral drugs that would contribute to an effective treatment alongside vaccines. Drug repurposing and development of new molecules targeting numerous viral targets have already led to promising drug candidates. To this end, versatile molecular scaffolds with high functionalization capabilities play a key role. Starting with the clinically used conformationally flexible HIV-1 protease inhibitors that inhibit replication of SARS-CoV-2 and bind major protease 3CL<sup>pro</sup>, we designed and synthesized a series of rigid bicyclo[2.2.2]octenes fused to <i>N</i>-substituted succinimides to test whether this core scaffold could support the development of non-covalent 3CL<sup>pr"],"journal":["Pharmaceuticals (Basel, Switzerland)"],"pubmed_title":["Design, Synthesis and Evaluation of Fused Bicyclo[2.2.2]octene as a Potential Core Scaffold for the Non-Covalent Inhibitors of SARS-CoV-2 3CL<sup>pro</sup> Main Protease."],"pmcid":["PMC9145702"],"funding_grant_id":["P1-0012","P1-0230-0103"],"pubmed_authors":["Herlah B","Hoivik A","Yamamoto N","Hoshino T","Valjavec K","Jamsek L","Perdih A","Kranjc K"],"additional_accession":[]},"is_claimable":false,"name":"Design, Synthesis and Evaluation of Fused Bicyclo[2.2.2]octene as a Potential Core Scaffold for the Non-Covalent Inhibitors of SARS-CoV-2 3CL<sup>pro</sup> Main Protease.","description":"The emergence of SARS-CoV-2, responsible for the global COVID-19 pandemic, requires the rapid development of novel antiviral drugs that would contribute to an effective treatment alongside vaccines. Drug repurposing and development of new molecules targeting numerous viral targets have already led to promising drug candidates. To this end, versatile molecular scaffolds with high functionalization capabilities play a key role. Starting with the clinically used conformationally flexible HIV-1 protease inhibitors that inhibit replication of SARS-CoV-2 and bind major protease 3CL<sup>pro</sup>, we designed and synthesized a series of rigid bicyclo[2.2.2]octenes fused to <i>N</i>-substituted succinimides to test whether this core scaffold could support the development of non-covalent 3CL<sup>pr","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Apr","modification":"2026-05-06T03:20:46.822Z","creation":"2024-11-10T08:42:52.058Z"},"accession":"S-EPMC9145702","cross_references":{"pubmed":["35631364"],"doi":["10.3390/ph15050539"]}}