{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,15]],"date-time":"2026-10-15T03:12:45Z","timestamp":1792033965473,"version":"4.4.0"},"reference-count":59,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2023,1,5]],"date-time":"2023-01-05T00:00:00Z","timestamp":1672876800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Alzheimer\u2019s disease is a major public brain condition that has resulted in many deaths, as revealed by the World Health Organization (WHO). Conventional Alzheimer\u2019s treatments such as chemotherapy, surgery, and radiotherapy are not very effective and are usually associated with several adverse effects. Therefore, it is necessary to find a new therapeutic approach that completely treats Alzheimer\u2019s disease without many side effects. In this research project, we report the synthesis and biological activities of some new thiazole-bearing sulfonamide analogs (1\u201321) as potent anti-Alzheimer\u2019s agents. Suitable characterization techniques were employed, and the density functional theory (DFT) computational approach, as well as in-silico molecular modeling, has been employed to assess the electronic properties and anti-Alzheimer\u2019s potency of the analogs. All analogs exhibited a varied degree of inhibitory potential, but analog 1 was found to have excellent potency (IC50 = 0.10 \u00b1 0.05 \u00b5M for AChE) and (IC50 = 0.20 \u00b1 0.050 \u00b5M for BuChE) as compared to the reference drug donepezil (IC50 = 2.16 \u00b1 0.12 \u00b5M and 4.5 \u00b1 0.11 \u00b5M). The structure-activity relationship was established, and it mainly depends upon the nature, position, number, and electron-donating\/-withdrawing effects of the substituent\/s on the phenyl rings.<\/jats:p>","DOI":"10.3390\/molecules28020559","type":"journal-article","created":{"date-parts":[[2023,1,6]],"date-time":"2023-01-06T03:19:54Z","timestamp":1672975194000},"page":"559","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":100,"title":["Synthesis, DFT Studies, Molecular Docking and Biological Activity Evaluation of Thiazole-Sulfonamide Derivatives as Potent Alzheimer\u2019s Inhibitors"],"prefix":"10.3390","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5404-0954","authenticated-orcid":false,"given":"Shoaib","family":"Khan","sequence":"first","affiliation":[{"name":"Department of Chemistry, Hazara University, Mansehra 21120, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3833-1457","authenticated-orcid":false,"given":"Hayat","family":"Ullah","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Okara, Okara 56130, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3047-9289","authenticated-orcid":false,"given":"Muhammad","family":"Taha","sequence":"additional","affiliation":[{"name":"Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fazal","family":"Rahim","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Hazara University, Mansehra 21120, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Maliha","family":"Sarfraz","sequence":"additional","affiliation":[{"name":"Department of Zoology, Wildlife and Fisheries, University of Agriculture Faisalabad, Sub-Campus, Toba Tek Singh 36050, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0473-889X","authenticated-orcid":false,"given":"Rashid","family":"Iqbal","sequence":"additional","affiliation":[{"name":"Department of Agronomy, Faculty of Agriculture and Environment, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Naveed","family":"Iqbal","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Poonch, Rawalakot 12350, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rafaqat","family":"Hussain","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Hazara University, Mansehra 21120, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8142-5013","authenticated-orcid":false,"given":"Syed Adnan","family":"Ali Shah","sequence":"additional","affiliation":[{"name":"Faculty of Pharmacy, Universiti Teknologi MARA Cawangan Selangor Kampus Puncak Alam, Puncak Alam 42300, Selangor, Malaysia"},{"name":"Atta-ur-Rahman Institute for Natural Product Discovery (AuRIns), Universiti Teknologi MARA Cawangan Selangor Kampus Puncak Alam, Puncak Alam 42300, Selangor, Malaysia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Khurshid","family":"Ayub","sequence":"additional","affiliation":[{"name":"Department of Chemistry, COMSATS University, Abbottabad Campus, Abbottabad 22060, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4579-0045","authenticated-orcid":false,"given":"Marzough Aziz","family":"Albalawi","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Alwajh College, University of Tabuk, Tabuk 71491, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1317-0653","authenticated-orcid":false,"given":"Mahmoud A.","family":"Abdelaziz","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Science, University of Tabuk, Tabuk 71491, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3595-7828","authenticated-orcid":false,"given":"Fatema Suliman","family":"Alatawi","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, Faculty of Science, University of Tabuk, Tabuk 71491, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Khalid Mohammed","family":"Khan","sequence":"additional","affiliation":[{"name":"H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2023,1,5]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"91","DOI":"10.1016\/j.bioorg.2016.10.002","article-title":"Rational design and synthesis of dihydropyrimidine based dual binding site acetylcholinesterase inhibitors","volume":"69","author":"Ahmad","year":"2016","journal-title":"Bioorg. Chem."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1016\/S0301-0082(02)00079-5","article-title":"Alzheimer\u2019s disease and the basal forebrain cholinergic system: Relations to \u03b2-amyloid peptides, cognition, and treatment strategies","volume":"68","author":"Auld","year":"2002","journal-title":"Prog. 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