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Methods: A series of thiazole derivatives bearing a benzodioxole scaffold (1-9) were synthesized and evaluated for their antioxidant, anticholinesterase, and antidiabetic activities. Results: Antioxidant assays (ABTS and DPPH) revealed that compounds bearing 4-trifluoromethyl (compound 8) and phenyl (compound 9) moieties exhibited the strongest radical scavenging activities, attributed to efficient hydrogen atom transfer and extended \u03c0-conjugation, respectively. Enzyme inhibition studies showed that electron-withdrawing substituents such as 4-SO2CH3 (compound 3) and 3,4-diCl (compound 5) enhanced both AChE\/BChE and \u03b1-amylase\/\u03b1-glucosidase inhibition, surpassing the activity of acarbose in antidiabetic assays, while electron-donating groups reduced potency. Molecular docking and MD studies have shed light on the interactions of the active compounds. In addition, in silico ADMET predictions for the compounds have been performed. Conclusions: These results indicate that the thiazole-benzodioxole scaffold is a promising framework for developing multifunctional agents with combined neuroprotective, antidiabetic, and antioxidant activities.<\/jats:p>","DOI":"10.3390\/ph19091468","type":"journal-article","created":{"date-parts":[[2026,9,16]],"date-time":"2026-09-16T13:50:27Z","timestamp":1789566627000},"page":"1468","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Synthesis, Characterization, Biological Evaluation and In Silico Studies of Some New Thiazole Derivatives"],"prefix":"10.3390","volume":"19","author":[{"given":"Tu\u011f\u00e7e","family":"\u00c7akl\u0131l\u0131","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ac\u0131badem Mehmet Ali Ayd\u0131nlar University, \u0130stanbul 34752, T\u00fcrkiye"},{"name":"Institute of Health Sciences, Marmara University, \u0130stanbul 34865, T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"methodology","vocabulary":"credit"},{"role":"software","vocabulary":"credit"},{"role":"validation","vocabulary":"credit"},{"role":"investigation","vocabulary":"credit"},{"role":"data-curation","vocabulary":"credit"},{"role":"writing-original-draft","vocabulary":"credit"},{"role":"formal-analysis","vocabulary":"credit"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2339-5837","authenticated-orcid":false,"given":"Yusuf","family":"S\u0131cak","sequence":"additional","affiliation":[{"name":"Department of Medicinal and Aromatic Plants, K\u00f6yce\u011fiz Vocational School, Mugla Sitki Kocman University, Mu\u011fla 48800, T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"methodology","vocabulary":"credit"},{"role":"software","vocabulary":"credit"},{"role":"validation","vocabulary":"credit"},{"role":"formal-analysis","vocabulary":"credit"},{"role":"investigation","vocabulary":"credit"},{"role":"resources","vocabulary":"credit"},{"role":"data-curation","vocabulary":"credit"},{"role":"writing-original-draft","vocabulary":"credit"},{"role":"writing-review-editing","vocabulary":"credit"},{"role":"supervision","vocabulary":"credit"},{"role":"funding-acquisition","vocabulary":"credit"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9064-2941","authenticated-orcid":false,"given":"Somdatta Y.","family":"Chaudhari","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, PES\u2019s Modern College of Pharmacy, Pune 411044, Maharashtra, India"}],"role":[{"vocabulary":"crossref","role":"author"},{"role":"methodology","vocabulary":"credit"},{"role":"software","vocabulary":"credit"},{"role":"validation","vocabulary":"credit"},{"role":"formal-analysis","vocabulary":"credit"},{"role":"data-curation","vocabulary":"credit"},{"role":"writing-original-draft","vocabulary":"credit"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1995-136X","authenticated-orcid":false,"given":"Suraj N.","family":"Mali","sequence":"additional","affiliation":[{"name":"School of Pharmacy, D. 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