biostudies-literatureAlnufaie RNational Institutes of HealthUniversity of Arkansas for Medical SciencesNational Institute of General Medical SciencesNIGMS NIH HHS6001-6017https://www.ebi.ac.uk/biostudies/studies/S-EPMC8026163biostudies-literatureUnknown45(13)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.New journal of chemistry = Nouveau journal de chimieBenign Synthesis of Fused-thiazoles with Enone-based Natural Products and Drugs for Lead Discovery.PMC8026163P20 GM103429Day VWAlam MAAlkhaibari ISRoy SAli MAAlnufaie RfalseBenign Synthesis of Fused-thiazoles with Enone-based Natural Products and Drugs for Lead Discovery.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.2021-01-01T00:00:00Z2021 Apr2025-04-04T10:16:05.677Z2025-04-04T10:16:05.677ZS-EPMC80261633384099410.1039/d1nj00380a10.1039/D1NJ00380A