{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,23]],"date-time":"2026-10-23T19:44:52Z","timestamp":1792784692954,"version":"4.5.0"},"reference-count":44,"publisher":"American Chemical Society (ACS)","issue":"39","license":[{"start":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T00:00:00Z","timestamp":1789948800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T00:00:00Z","timestamp":1789948800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T00:00:00Z","timestamp":1789948800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100004731","name":"Natural Science Foundation of Zhejiang Province","doi-asserted-by":"publisher","award":["LY22H040010"],"award-info":[{"award-number":["LY22H040010"]}],"id":[{"id":"10.13039\/501100004731","id-type":"DOI","asserted-by":"publisher"}]},{"name":"National Natural Science Foundation of China (NSFC)","award":["82371610"],"award-info":[{"award-number":["82371610"]}],"id":[{"id":"https:\/\/ror.org\/01h0zpd94","id-type":"ROR","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,10,6]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Dialkyldimethylammonium chemicals (DDAs) are quaternary ammonium disinfectants. However, their effects on progesterone synthesis in placentas remain unclear. This study aims to study structure\u2013activity relationship (SAR) and mechanism of DDAs (C2\u2013C18) as inhibitors of human (3\u03b2-HSD1) and rat (3\u03b2-HSD4) placental 3\u03b2-hydroxysteroid dehydrogenase\/\u03945-\u03944 isomerase (3\u03b2-HSD), a key enzyme in progesterone synthesis. DDAs exhibited a distinct V-shaped SAR to inhibit 3\u03b2-HSD, which was dependent on alkyl chain length. The inhibitory potency peaked with the C12 analogue, demonstrating the highest potency in human (IC50 = 4.78 \u03bcM) and rat (IC50 = 2.08 \u03bcM) assays. Conversely, a significant reduction in activity was observed with the C18 analogue, as evidenced by the substantially higher IC50 values (human: 19.1 \u03bcM; rat: 18.68 \u03bcM). Kinetic analyses confirmed mixed\/noncompetitive mechanisms via NAD+\/steroid interface binding, supported by molecular docking and 3D-QSAR pharmacophores highlighting hydrophobic interactions. Cellular assays in JAr cells demonstrated reduced progesterone secretion. Network toxicology analysis identifies human 3\u03b2-HSD1 as a central hub within a pathogenic network for recurrent spontaneous abortion, suggesting its dysregulation to disrupted progesterone metabolism and key signaling pathways. These findings propose DDAs as novel placental 3\u03b2-HSD inhibitors, with implications for endocrine-disrupting effects.<\/jats:p>","DOI":"10.1021\/acs.est.6c02784","type":"journal-article","created":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T20:03:36Z","timestamp":1790021016000},"page":"27607-27620","source":"Crossref","is-referenced-by-count":0,"title":["Lipophilicity and\nSteric Constraints Govern V-Shaped\nInhibition of Human and Rat Placental 3\u03b2-Hydroxysteroid Dehydrogenase\nby Dialkyldimethylammonium Disinfectants: Implications for Progesterone\nDysregulation"],"prefix":"10.1021","volume":"60","author":[{"given":"Huiling","family":"Deng","sequence":"first","affiliation":[{"name":"The Second Affiliated Hospital & Yuying Children\u2019s Hospital of Wenzhou Medical University , , , ,","place":["Wenzhou, Zhejiang, China, 325027"]},{"name":"Wenzhou Medical University , , , ,","place":["Wenzhou, Zhejiang, China, 325027"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xishi","family":"Chen","sequence":"additional","affiliation":[{"name":"The Second Affiliated Hospital & Yuying Children\u2019s Hospital of Wenzhou Medical University , , , ,","place":["Wenzhou, Zhejiang, China, 325027"]},{"name":"Wenzhou Medical University , , , ,","place":["Wenzhou, Zhejiang, China, 325027"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ruijuan","family":"Gao","sequence":"additional","affiliation":[{"name":"The Second Affiliated Hospital & Yuying Children\u2019s Hospital of Wenzhou Medical University , , , ,","place":["Wenzhou, Zhejiang, China, 325027"]},{"name":"Wenzhou Medical University , , , ,","place":["Wenzhou, Zhejiang, China, 325027"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hao","family":"Lin","sequence":"additional","affiliation":[{"name":"Wenzhou Medical University , , , ,","place":["Wenzhou, Zhejiang, China, 325027"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yang","family":"Zhu","sequence":"additional","affiliation":[{"name":"The Second Affiliated Hospital & Yuying Children\u2019s Hospital of Wenzhou Medical University , , , ,","place":["Wenzhou, Zhejiang, China, 325027"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ren-shan","family":"Ge","sequence":"additional","affiliation":[{"name":"The Second Affiliated Hospital & Yuying Children\u2019s Hospital of Wenzhou Medical University , , , ,","place":["Wenzhou, Zhejiang, China, 325027"]},{"name":"Wenzhou Medical University , , , ,","place":["Wenzhou, Zhejiang, China, 325027"]},{"name":"Key Laboratory of Environment and Male Reproductive Medicine of Wenzhou , , ,","place":["Wenzhou, Zhejiang, China, 325000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jing","family":"Cheng","sequence":"additional","affiliation":[{"name":"The Second Affiliated Hospital & Yuying Children\u2019s Hospital of Wenzhou Medical University , , , ,","place":["Wenzhou, Zhejiang, China, 325027"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,21]]},"reference":[{"issue":"20","key":"2026100609070524000_cit1","doi-asserted-by":"publisher","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. 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