{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,29]],"date-time":"2026-07-29T23:54:44Z","timestamp":1785369284531,"version":"3.55.0"},"reference-count":45,"publisher":"MDPI AG","issue":"3","license":[{"start":{"date-parts":[[2026,3,17]],"date-time":"2026-03-17T00:00:00Z","timestamp":1773705600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Deanship of Scientific Research (DSR), King Abdulaziz University, Jeddah, Saudi Arabia","award":["IPP:525-141-2025"],"award-info":[{"award-number":["IPP:525-141-2025"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Toxics"],"abstract":"<jats:p>Endocrine-disrupting chemicals (EDCs) perturb hormonal homeostasis, dysregulating multiple biological pathways and subsequently resulting in adverse health outcomes, including impaired reproductive function. Bisphenols represent an important subclass of EDCs with widespread use in polycarbonate plastics, thermal paper formulations, epoxy resins, and various everyday consumer products. Bisphenol A (BPA) was the first bisphenol to be synthesized, with extensive industrial applications. However, the concerns over its potential health risks, most notably reproductive dysfunction, prompted the development and introduction of several structurally related BPA analogues. That said, studies on the potential hormonal effects of these BPA analogues remain limited. Therefore, strengthening the evidence base on their reproductive safety evaluation remains an essential priority for ensuring their safe application, and this study contributes to that broader objective. The study aimed to explore the potential endocrine-disrupting activity of two commonly used BPA analogues, bisphenol F (BPF) and bisphenol S (BPS), on reproductive hormone signalling, contributing to ongoing safety assessment efforts. The molecular interactions of these analogues with the estrogen receptor-\u03b1 (ER\u03b1) and estrogen receptor-\u03b2 (ER\u03b2) were analyzed through structural binding characterization employing the induced fit docking (IFD) approach using the Schr\u00f6dinger 2019 suite. The overall results revealed that the two indicated BPA analogues were placed successfully in the ligand-binding pockets of ER\u03b1 and ER\u03b2. Their binding pattern and molecular interactions showed certain similarities; however, they did not fully replicate the amino acid residue environment of the native ligands of ER\u03b1 and ER\u03b2, estradiol. Notably, the binding energy estimations revealed that BPF and BPS showed substantially lower values than those calculated for native ligands of ER\u03b1 and ER\u03b2. In summary, this study suggests that BPF and BPS exhibit lower predicted binding affinity toward ER\u03b1 and ER\u03b2 under the applied molecular docking conditions. However, these computational findings do not establish receptor activation, endocrine potency, or safety outcomes, and the potential involvement of other reproductive signalling pathways warrants further investigation.<\/jats:p>","DOI":"10.3390\/toxics14030262","type":"journal-article","created":{"date-parts":[[2026,3,17]],"date-time":"2026-03-17T14:50:48Z","timestamp":1773759048000},"page":"262","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Structural Insights into the Interaction of Bisphenol F (BPF) and Bisphenol S (BPS) with Estrogen Receptors for Endocrine Safety Assessment"],"prefix":"10.3390","volume":"14","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3963-9453","authenticated-orcid":false,"given":"Ishfaq Ahmad","family":"Sheikh","sequence":"first","affiliation":[{"name":"Toxicology and Forensic Sciences Unit, King Fahd Medical Research Center, King Abdulaziz University, Jeddah 21589, Saudi Arabia"},{"name":"Department of Medical Laboratory Sciences, Faculty of Applied Medical Sciences, King Abdulaziz University, Jeddah 21589, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Irshad Ul Haq","family":"Bhat","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science, University of Bahrain, Zallaq 32038, Bahrain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2855-5134","authenticated-orcid":false,"given":"Torki A.","family":"Zughaibi","sequence":"additional","affiliation":[{"name":"Toxicology and Forensic Sciences Unit, King Fahd Medical Research Center, King Abdulaziz University, Jeddah 21589, Saudi Arabia"},{"name":"Department of Medical Laboratory Sciences, Faculty of Applied Medical Sciences, King Abdulaziz University, Jeddah 21589, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7880-965X","authenticated-orcid":false,"given":"Mohamed A.","family":"Ghorab","sequence":"additional","affiliation":[{"name":"Wildlife Toxicology Lab, Department of Animal Science, Institute for Integrative Toxicology (IIT), Michigan State University, East Lansing, MI 48824, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohd","family":"Rehan","sequence":"additional","affiliation":[{"name":"Department of Medical Laboratory Sciences, Faculty of Applied Medical Sciences, King Abdulaziz University, Jeddah 21589, Saudi Arabia"},{"name":"EcoHealth Unit, King Fahd Medical Research Center, King Abdulaziz University, Jeddah 21589, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Majid Farhan","family":"Almutairi","sequence":"additional","affiliation":[{"name":"Diriyah Hospital, Ministry of Health, Riyadh 13717, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8495-4738","authenticated-orcid":false,"given":"Mohd Amin","family":"Beg","sequence":"additional","affiliation":[{"name":"Toxicology and Forensic Sciences Unit, King Fahd Medical Research Center, King Abdulaziz University, Jeddah 21589, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zainab","family":"Tariq","sequence":"additional","affiliation":[{"name":"Department of Environmental Sciences, Faculty of Engineering, Jamia Millia Islamia, New Delhi 110025, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8548-6131","authenticated-orcid":false,"given":"Abdel Rezak M.","family":"Kadry","sequence":"additional","affiliation":[{"name":"Department of Global, Environmental, and Occupational Health (GEOH), University of Maryland School of Public Health, College Park, MD 20742, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,3,17]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1831","DOI":"10.1007\/s00204-023-03519-y","article-title":"A review on immunomodulatory effects of BPA analogues","volume":"97","author":"Kodila","year":"2023","journal-title":"Arch. 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