{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,14]],"date-time":"2026-04-14T22:42:50Z","timestamp":1776206570191,"version":"3.50.1"},"reference-count":84,"publisher":"MDPI AG","issue":"12","license":[{"start":{"date-parts":[[2025,6,12]],"date-time":"2025-06-12T00:00:00Z","timestamp":1749686400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Ministry of Science, Technological Development and Innovation of the Republic of Serbia","award":["451-03-136\/2025-03\/200378"],"award-info":[{"award-number":["451-03-136\/2025-03\/200378"]}]},{"name":"Ministry of Science, Technological Development and Innovation of the Republic of Serbia","award":["57656312"],"award-info":[{"award-number":["57656312"]}]},{"name":"German Academic Exchange Service DAAD PPP","award":["451-03-136\/2025-03\/200378"],"award-info":[{"award-number":["451-03-136\/2025-03\/200378"]}]},{"name":"German Academic Exchange Service DAAD PPP","award":["57656312"],"award-info":[{"award-number":["57656312"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Nanomaterials"],"abstract":"<jats:p>Alzheimer\u2019s disease (AD) is a progressive neurodegenerative disorder characterized by synaptic dysfunction and neuronal loss due to the accumulation of amyloid-\u03b2 peptides and tau proteins. In the pursuit of novel neuroprotective strategies, organotin(IV) compounds have garnered attention due to their unique chemical and biological properties. This study evaluates the inhibitory potential of two triphenyltin(IV) derivatives\u2014(3-propan-1-ol)triphenyltin(IV) (Ph3SnL1) and (4-butan-1-ol)triphenyltin(IV) (Ph3SnL2)\u2014in both free form and immobilized into mesoporous silica SBA-15~Cl, targeting acetylcholinesterase (AChE), a key enzyme involved in AD pathophysiology. The SBA-15~Cl|Ph3SnL2 nanostructures exhibited the most potent inhibitory activity against AChE (IC50 = 0.58 \u03bcM), significantly outperforming the standard drug galantamine. Molecular docking, molecular dynamics simulations, and MM\/GBSA and MM\/PBSA analyses confirmed the stability and selectivity of interactions with AChE, primarily driven by hydrophobic interactions. Compound transport was also simulated using a multi-scale 3D mouse brain model to evaluate brain tissue distribution and blood\u2013brain barrier permeability. The results highlight the strong potential of SBA-15-loaded organotin(IV) compounds as biocompatible neuroprotective agents for novel treatments of neurodegenerative diseases.<\/jats:p>","DOI":"10.3390\/nano15120914","type":"journal-article","created":{"date-parts":[[2025,6,12]],"date-time":"2025-06-12T07:44:23Z","timestamp":1749714263000},"page":"914","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["(Alkyl-\u03c9-ol)triphenyltin(IV)-Loaded Mesoporous Silica as Biocompatible Potential Neuroprotectors: Evaluation of Inhibitory Activity Against Enzymes Associated with the Pathophysiology of Alzheimer\u2019s Disease"],"prefix":"10.3390","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0009-0001-5207-8438","authenticated-orcid":false,"given":"Kristina","family":"Milisavljevi\u0107","sequence":"first","affiliation":[{"name":"Institute for Information Technologies, University of Kragujevac, Jovana Cviji\u0107a bb, 34000 Kragujevac, Serbia"},{"name":"Department of Chemistry, Faculty of Science, University of Kragujevac, Radoja Domanovi\u0107a 12, 34000 Kragujevac, Serbia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1819-2808","authenticated-orcid":false,"given":"\u017diko","family":"Milanovi\u0107","sequence":"additional","affiliation":[{"name":"Institute for Information Technologies, University of Kragujevac, Jovana Cviji\u0107a bb, 34000 Kragujevac, Serbia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0000-5410-2350","authenticated-orcid":false,"given":"Jovana","family":"Mati\u0107","sequence":"additional","affiliation":[{"name":"Institute for Information Technologies, University of Kragujevac, Jovana Cviji\u0107a bb, 34000 Kragujevac, Serbia"},{"name":"Department of Biology, Faculty of Science, University of Kragujevac, Radoja Domanovi\u0107a 12, 34000 Kragujevac, Serbia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3810-1694","authenticated-orcid":false,"given":"Marko","family":"Antonijevi\u0107","sequence":"additional","affiliation":[{"name":"Institute for Information Technologies, University of Kragujevac, Jovana Cviji\u0107a bb, 34000 Kragujevac, Serbia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7842-8902","authenticated-orcid":false,"given":"Vladimir","family":"Simi\u0107","sequence":"additional","affiliation":[{"name":"Institute for Information Technologies, University of Kragujevac, Jovana Cviji\u0107a bb, 34000 Kragujevac, Serbia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3789-2404","authenticated-orcid":false,"given":"Miljan","family":"Milo\u0161evi\u0107","sequence":"additional","affiliation":[{"name":"Institute for Information Technologies, University of Kragujevac, Jovana Cviji\u0107a bb, 34000 Kragujevac, Serbia"},{"name":"Faculty of Information Technology, Belgrade Metropolitan University, Tadeu\u0161a Ko\u0107u\u0161ka 63, 11000 Belgrade, Serbia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5714-7631","authenticated-orcid":false,"given":"Marijana","family":"Kosani\u0107","sequence":"additional","affiliation":[{"name":"Department of Biology, Faculty of Science, University of Kragujevac, Radoja Domanovi\u0107a 12, 34000 Kragujevac, Serbia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5168-1000","authenticated-orcid":false,"given":"Goran N.","family":"Kalu\u0111erovi\u0107","sequence":"additional","affiliation":[{"name":"Department of Engineering and Natural Sciences, University of Applied Sciences Merseburg, Eberhard-Leibnitz-Stra\u00dfe 2, 06217 Merseburg, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2025,6,12]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"367","DOI":"10.1016\/S0188-4409(01)00316-2","article-title":"The molecular bases of Alzheimer\u2019s disease and other neurodegenerative disorders","volume":"32","author":"Maccioni","year":"2001","journal-title":"Arch. 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