{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,10]],"date-time":"2026-10-10T07:48:42Z","timestamp":1791618522983,"version":"4.3.4"},"reference-count":38,"publisher":"Walter de Gruyter GmbH","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Alzheimer\u2019s disease (AD) affects over 55 million individuals worldwide, yet approved pharmacotherapies remain limited to symptomatic relief. Dual inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) offers a validated approach to restoring cholinergic tone. However, structurally differentiated inhibitors with favorable selectivity profiles are critically needed. Here, we report a series of pyrimidine clubbed thiazolo[4,5-c]isoxazole framework that functions as potent dual cholinesterase inhibitors with low-micromolar activity against both AChE and BuChE. Lead compound-\n                    <jats:bold>1<\/jats:bold>\n                    demonstrated IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 6.19\u00a0\u00b1\u00a00.60\u202f\u03bcM (AChE) and 8.64\u00a0\u00b1\u00a00.91\u202f\u03bcM (BuChE) showing promising performance over the reference donepezil (AChE IC\n                    <jats:sub>50<\/jats:sub>\n                    \u00a0=\u00a019.38\u00a0\u00b1\u00a00.98\u202f\u03bcM, BuChE IC\n                    <jats:sub>50<\/jats:sub>\n                    \u00a0=\u00a027.54\u00a0\u00b1\u00a01.34\u202f\u03bcM). Furthermore, structure\u2013activity relationship analysis identified electron-withdrawing (\n                    <jats:italic>p<\/jats:italic>\n                    -CF\n                    <jats:sub>3<\/jats:sub>\n                    ,\n                    <jats:italic>p<\/jats:italic>\n                    -F,\n                    <jats:italic>o,p<\/jats:italic>\n                    -Cl,\n                    <jats:italic>p<\/jats:italic>\n                    -NO\n                    <jats:sub>2<\/jats:sub>\n                    ) and electron-donating (\u2013OH) aryl substituents as principal modulators of inhibitory potency. Moreover, molecular docking against human AChE and BuChE crystal structures revealed dual engagement of the catalytic anionic site and peripheral anionic site through hydrogen-bonding and \u03c0\u2013\u03c0 stacking interactions. In silico ADMET profiling confirmed electronic reactivity and drug-likeness of lead compounds. These findings establish pyrimidine-clubbed thiazolo[4,5-c]isoxazole as a mechanistically grounded scaffold with translational potential for next-generation anti-Alzheimer therapeutics.\n                  <\/jats:p>","DOI":"10.1515\/znc-2026-0143","type":"journal-article","created":{"date-parts":[[2026,10,10]],"date-time":"2026-10-10T06:56:55Z","timestamp":1791615415000},"source":"Crossref","is-referenced-by-count":0,"title":["Design, synthesis, and biological evaluation of pyrimidine linked fused thiazole\u2013isoxazole conjugates as dual cholinesterase inhibitors for Alzheimer\u2019s disease"],"prefix":"10.1515","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5455-7849","authenticated-orcid":false,"given":"Yousaf","family":"Khan","sequence":"first","affiliation":[{"name":"Department of Chemistry , COMSATS University Islamabad , Islamabad 45550 , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mujeeb Ul","family":"Naeem","sequence":"additional","affiliation":[{"name":"Department of Chemistry , Hazara University Mansehra , Mansehra , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Syeda Farwa","family":"Naqvi","sequence":"additional","affiliation":[{"name":"Department of Zoology , Quaid-i-Azam University , Islamabad , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Briha","family":"Fatima","sequence":"additional","affiliation":[{"name":"Department of Zoology , Quaid-i-Azam University , Islamabad , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rafaqat","family":"Hussain","sequence":"additional","affiliation":[{"name":"Department of Chemistry , Hazara University Mansehra , Mansehra , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hassam","family":"Uddin","sequence":"additional","affiliation":[{"name":"Department of Biological Sciences , Colleges Higher and Technical Education Department, Government of Baluchistan , Quetta , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tariq","family":"Aziz","sequence":"additional","affiliation":[{"name":"Molecular Microbiology and Infectious Diseases Research Unit , University of Tabuk , Tabuk 71491 , Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ammena Y.","family":"Binsaleh","sequence":"additional","affiliation":[{"name":"Department of Pharmacy Practice , College of Pharmacy, Princess Nourah bint Abdulrahman University , P.O.Box 84428 , Riyadh 11671 , Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nawal","family":"Al-Hoshani","sequence":"additional","affiliation":[{"name":"Department of Biology , College of Science, Princess Nourah bint Abdulrahman University , P.O.Box 84428 , Riyadh 11671 , Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hayam A.","family":"Alwabsi","sequence":"additional","affiliation":[{"name":"Department of Biochemistry , Faculty of Science , University of Tabuk , Tabuk 71491 , Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"374","published-online":{"date-parts":[[2026,10,12]]},"reference":[{"key":"2026101006565128793_j_znc-2026-0143_ref_001","doi-asserted-by":"crossref","unstructured":"Tiwari, S, Atluri, V, Kaushik, A, Yndart, A, Nair, M. 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Scaffold hopping strategy toward novel pyrazolo [3, 4-d] pyrimidine-based thiazole frameworks as potential cholinesterase inhibitors for treating Alzheimer\u2019s disease: insight into in vitro and in silico approaches. 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