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In this study, four novel xanthine steroid hybrids linked via a 1,2,3\u2010triazole moiety (\n                    <jats:bold>4\u20137<\/jats:bold>\n                    ) were efficiently synthesized through copper(I)\u2010catalyzed azide alkyne cycloaddition. Their bioactive potential was investigated using molecular docking and in vitro assays targeting both metabolic and apoptotic pathways. Docking simulations were performed against the anti\u2010apoptotic protein BCL\u20102 (isoform 1), associated with human breast adenocarcinoma cells, and \u03b1\u2010glucosidase, a key enzyme involved in carbohydrate hydrolysis. Among the series, compound\n                    <jats:bold>4<\/jats:bold>\n                    displayed the highest binding affinity toward \u03b1\u2010glucosidase and significant affinity toward BCL\u20102. In vitro assays confirmed that compound\n                    <jats:bold>4<\/jats:bold>\n                    exhibited the most potent dual effect, demonstrating \u03b1\u2010glucosidase inhibition with an IC\n                    <jats:sub>50<\/jats:sub>\n                    value of 123.9 \u00b5M (95% CI: 119\u2013129 \u00b5M) and an antiproliferative effect on MCF\u20107 cells, reaching a maximum viability reduction of 21% \u00b1 3% at 250 \u00b5M. The dual activity is largely attributed to the 1,2,3\u2010triazole linker, which facilitates stacking and critical hydrogen\u2010bonding interactions with its biological targets.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.71531","type":"journal-article","created":{"date-parts":[[2026,7,27]],"date-time":"2026-07-27T18:50:28Z","timestamp":1785178228000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Novel Triazole\u2010Linked Xanthine\u2010Steroid Hybrids: Molecular Docking and In Vitro Evaluation Against \u03b1\u2010Glucosidase and MCF\u20107 Cells"],"prefix":"10.1002","volume":"23","author":[{"ORCID":"https:\/\/orcid.org\/0009-0001-9694-078X","authenticated-orcid":false,"given":"Diego","family":"Martinez","sequence":"first","affiliation":[{"name":"Tecnol\u00f3gico Nacional de M\u00e9xico Unidad M\u00e9rida  M\u00e9rida Yucat\u00e1n 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