{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Alnufaie R"],"funding":["National Institutes of Health","University of Arkansas for Medical Sciences","National Institute of General Medical Sciences","NIGMS NIH HHS"],"pagination":["6001-6017"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC8026163"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["45(13)"],"pubmed_abstract":["In an effort to synthesize a library of bioactive molecules, we present an efficient synthesis of fused-thiazole derivatives of natural products and approved drugs by using an environmentally usable solvent, acetic acid, and without any external reagent. Cholestenone, ethisterone, progesterone, and nootkatone-derived epoxyketones have been utilized to synthesize 50 novel compounds. The plausible mechanism of the reaction has been determined by theoretical calculation using M06-2X/6-31+G(d,p). These novel molecules have been tested against cancer cell lines and pathogenic bacterial strains. Several ethisterone-based fused-thiazole compounds are found to be potent growth inhibitors of cancer cell lines at submicromolar concentrations."],"journal":["New journal of chemistry = Nouveau journal de chimie"],"pubmed_title":["Benign Synthesis of Fused-thiazoles with Enone-based Natural Products and Drugs for Lead Discovery."],"pmcid":["PMC8026163"],"funding_grant_id":["P20 GM103429"],"pubmed_authors":["Day VW","Alam MA","Alkhaibari IS","Roy S","Ali MA","Alnufaie R"],"additional_accession":[]},"is_claimable":false,"name":"Benign Synthesis of Fused-thiazoles with Enone-based Natural Products and Drugs for Lead Discovery.","description":"In an effort to synthesize a library of bioactive molecules, we present an efficient synthesis of fused-thiazole derivatives of natural products and approved drugs by using an environmentally usable solvent, acetic acid, and without any external reagent. Cholestenone, ethisterone, progesterone, and nootkatone-derived epoxyketones have been utilized to synthesize 50 novel compounds. The plausible mechanism of the reaction has been determined by theoretical calculation using M06-2X/6-31+G(d,p). These novel molecules have been tested against cancer cell lines and pathogenic bacterial strains. Several ethisterone-based fused-thiazole compounds are found to be potent growth inhibitors of cancer cell lines at submicromolar concentrations.","dates":{"release":"2021-01-01T00:00:00Z","publication":"2021 Apr","modification":"2025-04-04T10:16:05.677Z","creation":"2025-04-04T10:16:05.677Z"},"accession":"S-EPMC8026163","cross_references":{"pubmed":["33840994"],"doi":["10.1039/d1nj00380a","10.1039/D1NJ00380A"]}}