{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,29]],"date-time":"2026-03-29T18:47:44Z","timestamp":1774810064314,"version":"3.50.1"},"reference-count":0,"publisher":"Bentham Science Publishers Ltd.","content-domain":{"domain":["eurekaselect.com"],"crossmark-restriction":true},"short-container-title":["CTMC"],"published-print":{"date-parts":[[2026,3,25]]},"abstract":"<jats:sec>\n                    <jats:title>Introduction:<\/jats:title>\n                    <jats:p>AChE inhibitors enhance cholinergic neurotransmission and are used to\ntreat neurological disorders. This study synthesized novel coumarin-based selenotriazole compounds\nby combining coumarin, organoselenium, and 1,2,3-triazole moieties, given their antioxidant,\nneuroprotective, and enzyme-inhibitory effects, with the aim of achieving a synergistic pharmacological\nprofile.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Materials and Methods:<\/jats:title>\n                    <jats:p>They were initially evaluated via in silico molecular docking studies\nagainst AChE, using rivastigmine as a reference compound. The most promising molecules were\nsubsequently subjected to in vitro screening to assess their inhibitory activity against AChE from\nthe brains of female Swiss mice. Further investigations included detailed binding interaction analyses\nand in silico ADMET predictions.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Results:<\/jats:title>\n                    <jats:p>Docking simulations showed the compounds had better binding affinities than rivastigmine.\nIn vitro assays identified five potent AChE inhibitors (7b, 7h-j, 7l), with 7b and 7j as the top\ncandidates. Docking revealed key interactions at the enzyme\u2019s catalytic site. ADMET predictions\nindicated good absorption, metabolism, moderate CNS permeability, and acceptable toxicity,\nthough hepatotoxicity and hERG II inhibition remain concerns for future study.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Discussion:<\/jats:title>\n                    <jats:p>The combination of coumarin, organoselenium, and triazole pharmacophores proved\neffective in modulating AChE activity, suggesting a synergistic effect among these structural units.\n7b and 7j stood out in terms of both biological activity and predicted pharmacokinetic properties,\nestablishing them as promising lead candidates for further development. Toxicological concerns\nhighlight the importance of future structural optimization to minimize potential adverse effects.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Conclusion:<\/jats:title>\n                    <jats:p>Compounds 7b and 7j are promising AChE inhibitor lead compounds for treating\ncholinergic disorders like Alzheimer's disease. Further in vivo studies and optimization are needed.<\/jats:p>\n                  <\/jats:sec>","DOI":"10.2174\/0115680266445839260129060814","type":"journal-article","created":{"date-parts":[[2026,3,29]],"date-time":"2026-03-29T18:32:09Z","timestamp":1774809129000},"update-policy":"https:\/\/doi.org\/10.2174\/bsp_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Synthesis of New Coumarin-Based Selenotriazoles as Acetylcholinesterase Inhibitors for Cholinergic Dysfunction"],"prefix":"10.2174","volume":"26","author":[{"given":"Cristal","family":"V. T. Martins","sequence":"first","affiliation":[{"name":"Laboratory of Applied Organic Synthesis (LabSOA), Fluminense Federal University, Valonguinho Campus, 24020-141, Niter\u00f3i, RJ, Brazil"},{"name":"Graduate Program in Applied Sciences to Health Products, Fluminense Federal University, 24241-000, Niter\u00f3i, RJ, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tacia K.","family":"Hall","sequence":"additional","affiliation":[{"name":"Laboratory of Biochemistry and Molecular Neuropharmacology (LABIONEM), Federal University of Pelotas, 96010-900, Pelotas, RS, Brazil"},{"name":"Graduate Program in Biochemistry and Bioprospecting, Center for Chemical, Pharmaceutical and Food Sciences, Federal University of Pelotas, 96010-900, Pelotas, RS, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Analice","family":"Goncalves Rodrigues da Cruz","sequence":"additional","affiliation":[{"name":"Graduate Program in Applied Sciences to Health Products, Fluminense Federal University, 24241-000, Niter\u00f3i, RJ, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ac\u00e1cio","family":"S. Souza","sequence":"additional","affiliation":[{"name":"Laboratory of Applied Organic Synthesis (LabSOA), Fluminense Federal University, Valonguinho Campus, 24020-141, Niter\u00f3i, RJ, Brazil"},{"name":"Laboratory of Innovation in Chemistry and Pharmaceutical Technology (LabIQTF), Fluminense Federal University,Faculty of Pharmacy, 24241-000, Niter\u00f3i, RJ, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ruan Carlos","family":"B. Ribeiro","sequence":"additional","affiliation":[{"name":"Graduate Program in Applied Sciences to Health Products, Fluminense Federal University, 24241-000, Niter\u00f3i, RJ, Brazil"},{"name":"Graduate Program in Chemistry, Valonguinho Campus, Fluminense Federal University, Institute of Chemistry, 24020-141, Niter\u00f3i, RJ, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Douglas","family":"C. A. Pinto","sequence":"additional","affiliation":[{"name":"Laboratory of Applied Organic Synthesis (LabSOA), Fluminense Federal University, Valonguinho Campus, 24020-141, Niter\u00f3i, RJ, Brazil"},{"name":"Graduate Program in Applied Sciences to Health Products, Fluminense Federal University, 24241-000, Niter\u00f3i, RJ, Brazil"},{"name":"Graduate Program in Chemistry, Valonguinho Campus, Fluminense Federal University, Institute of Chemistry, 24020-141, Niter\u00f3i, RJ, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Pamella","family":"Cordeiro","sequence":"additional","affiliation":[{"name":"Graduate Program in Chemistry, Valonguinho Campus, Fluminense Federal University, Institute of Chemistry, 24020-141, Niter\u00f3i, RJ, Brazil"},{"name":"LabSupraSelen, Fluminense Federal University, Valonguinho Campus, 24020-141, Niter\u00f3i, RJ, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Cesar Augusto","family":"Br\u00fcning","sequence":"additional","affiliation":[{"name":"Laboratory of Biochemistry and Molecular Neuropharmacology (LABIONEM), Federal University of Pelotas, 96010-900, Pelotas, RS, Brazil"},{"name":"Graduate Program in Biochemistry and Bioprospecting, Center for Chemical, Pharmaceutical and Food Sciences, Federal University of Pelotas, 96010-900, Pelotas, RS, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Fernando","family":"de C. da Silva","sequence":"additional","affiliation":[{"name":"Laboratory of Applied Organic Synthesis (LabSOA), Fluminense Federal University, Valonguinho Campus, 24020-141, Niter\u00f3i, RJ, Brazil"},{"name":"Graduate Program in Applied Sciences to Health Products, Fluminense Federal University, 24241-000, Niter\u00f3i, RJ, Brazil"},{"name":"Graduate Program in Chemistry, Valonguinho Campus, Fluminense Federal University, Institute of Chemistry, 24020-141, Niter\u00f3i, RJ, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vanessa","family":"Nascimento","sequence":"additional","affiliation":[{"name":"Graduate Program in Chemistry, Valonguinho Campus, Fluminense Federal University, Institute of Chemistry, 24020-141, Niter\u00f3i, RJ, Brazil"},{"name":"LabSupraSelen, Fluminense Federal University, Valonguinho Campus, 24020-141, Niter\u00f3i, RJ, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9509-4446","authenticated-orcid":true,"given":"Cristiani","family":"Folharini Bortolatto","sequence":"additional","affiliation":[{"name":"Laboratory of Biochemistry and Molecular Neuropharmacology (LABIONEM), Federal University of Pelotas, 96010-900, Pelotas, RS, Brazil"},{"name":"Graduate Program in Biochemistry and Bioprospecting, Center for Chemical, Pharmaceutical and Food Sciences, Federal University of Pelotas, 96010-900, Pelotas, RS, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7657-4268","authenticated-orcid":true,"given":"Luana","family":"da S. 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Forezi","sequence":"additional","affiliation":[{"name":"Laboratory of Applied Organic Synthesis (LabSOA), Fluminense Federal University, Valonguinho Campus, 24020-141, Niter\u00f3i, RJ, Brazil"},{"name":"Graduate Program in Applied Sciences to Health Products, Fluminense Federal University, 24241-000, Niter\u00f3i, RJ, Brazil"},{"name":"Graduate Program in Chemistry, Valonguinho Campus, Fluminense Federal University, Institute of Chemistry, 24020-141, Niter\u00f3i, RJ, Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"965","container-title":["Current Topics in Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.eurekaselect.com\/article\/download?doi=10.2174\/0115680266445839260129060814","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.eurekaselect.com\/251469\/article","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.eurekaselect.com\/article\/download?doi=10.2174\/0115680266445839260129060814","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,3,29]],"date-time":"2026-03-29T18:32:13Z","timestamp":1774809133000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.eurekaselect.com\/251469\/article"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,3,25]]},"references-count":0,"alternative-id":["LiveAll1"],"URL":"https:\/\/doi.org\/10.2174\/0115680266445839260129060814","relation":{},"ISSN":["1568-0266"],"issn-type":[{"value":"1568-0266","type":"print"}],"subject":[],"published":{"date-parts":[[2026,3,25]]},"assertion":[{"value":"Peer Reviewed","order":0,"name":"review_status","label":"Review Status","group":{"name":"peer_review_details","label":"Peer Review Details"}},{"value":"Double blind","order":1,"name":"review_process","label":"Review Process","group":{"name":"peer_review_details","label":"Peer Review Details"}},{"value":"Checked with iThenticate","order":0,"name":"screening_status","label":"Screening Status","group":{"name":"plagiarism_screening","label":"Plagiarism Screening"}},{"value":"2025-10-31","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-11-22","order":1,"name":"revised","label":"Revised","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-11-26","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2026-03-25","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}