{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,23]],"date-time":"2026-10-23T03:14:34Z","timestamp":1792725274177,"version":"4.5.0"},"reference-count":31,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T00:00:00Z","timestamp":1780272000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T00:00:00Z","timestamp":1780272000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T00:00:00Z","timestamp":1780272000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T00:00:00Z","timestamp":1780272000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T00:00:00Z","timestamp":1780272000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T00:00:00Z","timestamp":1780272000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T00:00:00Z","timestamp":1780272000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/100007835","name":"Wenzhou Medical University","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100007835","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["82471635"],"award-info":[{"award-number":["82471635"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["82371610"],"award-info":[{"award-number":["82371610"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic Chemistry"],"published-print":{"date-parts":[[2026,6]]},"DOI":"10.1016\/j.bioorg.2026.109594","type":"journal-article","created":{"date-parts":[[2026,2,5]],"date-time":"2026-02-05T16:01:45Z","timestamp":1770307305000},"page":"109594","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":1,"special_numbering":"C","title":["Benzalkonium disinfectants as emerging endocrine disruptors: Inhibition of 11\u03b2-Hydroxysteroid dehydrogenase 2 in human and rat models via steric and hydrophobic mechanisms: SPR and docking and enzymatic analysis"],"prefix":"10.1016","volume":"173","author":[{"given":"Qingyuan","family":"Wang","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Huiqian","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Feilu","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yubin","family":"Xu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zixuan","family":"Zheng","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shaowei","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ren-shan","family":"Ge","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaoheng","family":"Li","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.bioorg.2026.109594_bb0005","series-title":"Quaternary Ammonium Compound Toxicity, StatPearls, StatPearls Publishing Copyright \u00a9 2025","author":"Camagay","year":"2025"},{"issue":"20","key":"10.1016\/j.bioorg.2026.109594_bb0010","doi-asserted-by":"crossref","first-page":"7645","DOI":"10.1021\/acs.est.2c08244","article-title":"Quaternary ammonium compounds: a chemical class of emerging concern","volume":"57","author":"Arnold","year":"2023","journal-title":"Environ. Sci. Technol."},{"issue":"8","key":"10.1016\/j.bioorg.2026.109594_bb0015","article-title":"Expanding the variety of Pyridinium-based Bis-QACs with antimicrobial properties: investigation into linker structure-activity correlation","volume":"20","author":"Frolov","year":"2025","journal-title":"ChemMedChem"},{"key":"10.1016\/j.bioorg.2026.109594_bb0020","article-title":"The slow pandemic: emergence of antimicrobial resistance in the Postadvent of SARS-CoV-2 pandemic","volume":"2025","author":"Osunla","year":"2025","journal-title":"Glob Health Epidemiol. Genom."},{"key":"10.1016\/j.bioorg.2026.109594_bb0025","doi-asserted-by":"crossref","DOI":"10.1016\/j.reprotox.2024.108817","article-title":"Quaternary ammonium compound exposure causes infertility by altering endocrine signaling and gametogenesis","volume":"132","author":"Kirkpatrick","year":"2025","journal-title":"Reprod. Toxicol."},{"issue":"2","key":"10.1016\/j.bioorg.2026.109594_bb0030","first-page":"630","article-title":"Investigation of the functional properties of some origanum species and their bioactive components","volume":"9","author":"Tekin","year":"2025","journal-title":"ISPEC J. Agric. Sci."},{"issue":"4","key":"10.1016\/j.bioorg.2026.109594_bb0035","first-page":"717","article-title":"Phenolic analysis and antimicrobial potential of glycyrrhiza glabra L. plant root extract","volume":"10","author":"Aktepe","year":"2025","journal-title":"MAS J. Appl. Sci."},{"key":"10.1016\/j.bioorg.2026.109594_bb0040","doi-asserted-by":"crossref","first-page":"349","DOI":"10.1016\/B978-0-12-800095-3.00013-4","article-title":"Environmental pollutants and hydroxysteroid dehydrogenases","volume":"94","author":"Ye","year":"2014","journal-title":"Vitam. Horm."},{"issue":"3","key":"10.1016\/j.bioorg.2026.109594_bb0045","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1016\/j.tox.2011.04.007","article-title":"Environmental inhibitors of 11beta-hydroxysteroid dehydrogenase type 2","volume":"285","author":"Ma","year":"2011","journal-title":"Toxicology"},{"key":"10.1016\/j.bioorg.2026.109594_bb0050","doi-asserted-by":"crossref","DOI":"10.1016\/j.ecoenv.2023.114715","article-title":"Direct inhibition of bisphenols on human and rat 11beta-hydroxysteroid dehydrogenase 2: structure-activity relationship and docking analysis","volume":"254","author":"Zhang","year":"2023","journal-title":"Ecotoxicol. Environ. Saf."},{"issue":"3","key":"10.1016\/j.bioorg.2026.109594_bb0055","first-page":"335","article-title":"Apparent mineralocorticoid excess in the pediatric population: report of a novel pathogenic variant of the 11beta-HSD2 gene and Systematic review of the literature","volume":"16","author":"Adamidis","year":"2019","journal-title":"Pediatr. Endocrinol. Rev."},{"issue":"1","key":"10.1016\/j.bioorg.2026.109594_bb0060","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.psyneuen.2012.08.012","article-title":"Glucocorticoid excess and the developmental origins of disease: two decades of testing the hypothesis--2012 Curt Richter Award Winner","volume":"38","author":"Reynolds","year":"2013","journal-title":"Psychoneuroendocrinology"},{"key":"10.1016\/j.bioorg.2026.109594_bb0065","doi-asserted-by":"crossref","DOI":"10.1016\/j.fct.2023.114415","article-title":"Chalcones from plants cause toxicity by inhibiting human and rat 11beta-hydroxysteroid dehydrogenase 2: 3D-quantitative structure-activity relationship (3D-QSAR) and in silico docking analysis","volume":"184","author":"Lin","year":"2024","journal-title":"Food Chem. Toxicol.: An Int. J. Published British Ind. Biol. Res. Assoc."},{"issue":"2","key":"10.1016\/j.bioorg.2026.109594_bb0070","doi-asserted-by":"crossref","first-page":"257","DOI":"10.1016\/S0006-291X(03)01359-7","article-title":"Inhibition of 11 beta-hydroxysteroid dehydrogenase type 2 by dithiocarbamates","volume":"308","author":"Atanasov","year":"2003","journal-title":"Biochem. Biophys. Res. Commun."},{"issue":"10","key":"10.1016\/j.bioorg.2026.109594_bb0075","doi-asserted-by":"crossref","first-page":"895","DOI":"10.1016\/j.steroids.2006.06.001","article-title":"Reduction of glucocorticoid receptor ligand binding by the 11-beta hydroxysteroid dehydrogenase type 2 inhibitor","volume":"71","author":"Garbrecht","year":"2006","journal-title":"Thiram, Steroids"},{"issue":"1","key":"10.1016\/j.bioorg.2026.109594_bb0080","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1007\/s43188-022-00151-3","article-title":"The effects of co-exposure to methyl paraben and dibutyl phthalate on cell line derived from human skin","volume":"39","author":"Miranowicz-Dzierzawska","year":"2023","journal-title":"Toxicol. Res."},{"issue":"1","key":"10.1016\/j.bioorg.2026.109594_bb0085","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1021\/ci049714+","article-title":"ZINC--a free database of commercially available compounds for virtual screening","volume":"45","author":"Irwin","year":"2005","journal-title":"J. Chem. Inf. Model."},{"issue":"D1","key":"10.1016\/j.bioorg.2026.109594_bb0090","doi-asserted-by":"crossref","first-page":"D439","DOI":"10.1093\/nar\/gkab1061","article-title":"AlphaFold protein structure database: massively expanding the structural coverage of protein-sequence space with high-accuracy models","volume":"50","author":"Varadi","year":"2022","journal-title":"Nucleic Acids Res."},{"issue":"7873","key":"10.1016\/j.bioorg.2026.109594_bb0095","doi-asserted-by":"crossref","first-page":"583","DOI":"10.1038\/s41586-021-03819-2","article-title":"Highly accurate protein structure prediction with AlphaFold","volume":"596","author":"Jumper","year":"2021","journal-title":"Nature"},{"issue":"19","key":"10.1016\/j.bioorg.2026.109594_bb0100","doi-asserted-by":"crossref","first-page":"6338","DOI":"10.3390\/molecules27196338","article-title":"Homology modeling, molecular docking, molecular dynamic simulation, and drug-likeness of the modified alpha-mangostin against the beta-tubulin protein of acanthamoeba keratitis","volume":"27","author":"Ongtanasup","year":"2022","journal-title":"Molecules"},{"issue":"Web Server issue","key":"10.1016\/j.bioorg.2026.109594_bb0105","doi-asserted-by":"crossref","first-page":"W270","DOI":"10.1093\/nar\/gkr366","article-title":"SwissDock, a protein-small molecule docking web service based on EADock DSS","volume":"39","author":"Grosdidier","year":"2011","journal-title":"Nucleic Acids Res."},{"issue":"2","key":"10.1016\/j.bioorg.2026.109594_bb0110","doi-asserted-by":"crossref","first-page":"353","DOI":"10.1093\/toxsci\/kfs022","article-title":"The anabolic androgenic steroid fluoxymesterone inhibits 11\u03b2-hydroxysteroid dehydrogenase 2-dependent glucocorticoid inactivation","volume":"126","author":"F\u00fcrstenberger","year":"2012","journal-title":"Toxicol. Sci.: An Official J. Soc. Toxicol."},{"issue":"2","key":"10.1016\/j.bioorg.2026.109594_bb0115","doi-asserted-by":"crossref","first-page":"126","DOI":"10.1016\/j.toxlet.2012.10.002","article-title":"Inhibition of human and rat 11beta-hydroxysteroid dehydrogenases activities by bisphenol a","volume":"215","author":"Guo","year":"2012","journal-title":"Toxicol. Lett."},{"key":"10.1016\/j.bioorg.2026.109594_bb0120","doi-asserted-by":"crossref","DOI":"10.1016\/j.tox.2023.153484","article-title":"Direct inhibition of human and rat 11beta-hydroxysteroid dehydrogenase 2 by per- and polyfluoroalkyl substances: structure-activity relationship and in silico docking analysis","volume":"488","author":"Zhao","year":"2023","journal-title":"Toxicology"},{"key":"10.1016\/j.bioorg.2026.109594_bb0125","doi-asserted-by":"crossref","DOI":"10.1530\/EC-19-0288","article-title":"Diethylstilbestrol inhibits human and rat 11beta-hydroxysteroid dehydrogenase 2","author":"Wang","year":"2019","journal-title":"Endocr. Connect."},{"key":"10.1016\/j.bioorg.2026.109594_bb0130","doi-asserted-by":"crossref","DOI":"10.1016\/j.fct.2023.113739","article-title":"Halogen atoms determine the inhibitory potency of halogenated bisphenol a derivatives on human and rat placental 11beta-hydroxysteroid dehydrogenase 2","volume":"175","author":"Shi","year":"2023","journal-title":"Food Chem. Toxicol."},{"issue":"1","key":"10.1016\/j.bioorg.2026.109594_bb0135","doi-asserted-by":"crossref","first-page":"79","DOI":"10.1016\/j.cbi.2009.09.014","article-title":"74. Structure-dependent inhibition of human and rat 11beta-hydroxysteroid dehydrogenase 2 activities by phthalates","volume":"183","author":"Zhao","year":"2010","journal-title":"Chem. Biol. Interact."},{"issue":"1","key":"10.1016\/j.bioorg.2026.109594_bb0140","doi-asserted-by":"crossref","first-page":"18","DOI":"10.1016\/j.toxlet.2013.01.002","article-title":"Effects of methoxychlor and its metabolite 2,2-bis(p-hydroxyphenyl)-1,1,1-trichloroethane on 11beta-hydroxysteroid dehydrogenase activities in vitro","volume":"218","author":"Guo","year":"2013","journal-title":"Toxicol. Lett."},{"key":"10.1016\/j.bioorg.2026.109594_bb0145","doi-asserted-by":"crossref","DOI":"10.1016\/j.taap.2020.115387","article-title":"Species-specific differences in the inhibition of 11beta-hydroxysteroid dehydrogenase 2 by itraconazole and posaconazole","volume":"412","author":"Inderbinen","year":"2021","journal-title":"Toxicol. Appl. Pharmacol."},{"issue":"39","key":"10.1016\/j.bioorg.2026.109594_bb0150","doi-asserted-by":"crossref","first-page":"20990","DOI":"10.1021\/acs.est.5c05481","article-title":"Chain length-dependent inhibition of human and rat placental aromatase by benzalkonium disinfectants: experimental, quantitative structure-activity relationship, and in silico docking insights","volume":"59","author":"Xu","year":"2025","journal-title":"Environ. Sci. Technol."},{"issue":"3","key":"10.1016\/j.bioorg.2026.109594_bb0155","doi-asserted-by":"crossref","first-page":"279","DOI":"10.1016\/j.yhbeh.2010.06.007","article-title":"Glucocorticoids, prenatal stress and the programming of disease","volume":"59","author":"Harris","year":"2011","journal-title":"Horm. Behav."}],"container-title":["Bioorganic Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206826001306?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0045206826001306?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,3,7]],"date-time":"2026-03-07T13:54:29Z","timestamp":1772891669000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0045206826001306"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,6]]},"references-count":31,"alternative-id":["S0045206826001306"],"URL":"https:\/\/doi.org\/10.1016\/j.bioorg.2026.109594","relation":{},"ISSN":["0045-2068"],"issn-type":[{"value":"0045-2068","type":"print"}],"subject":[],"published":{"date-parts":[[2026,6]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Benzalkonium disinfectants as emerging endocrine disruptors: Inhibition of 11\u03b2-Hydroxysteroid dehydrogenase 2 in human and rat models via steric and hydrophobic mechanisms: SPR and docking and enzymatic analysis","name":"articletitle","label":"Article Title"},{"value":"Bioorganic Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bioorg.2026.109594","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 Elsevier Inc. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"109594"}}