{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,17]],"date-time":"2026-01-17T04:34:45Z","timestamp":1768624485972,"version":"3.49.0"},"reference-count":48,"publisher":"MDPI AG","issue":"6","license":[{"start":{"date-parts":[[2025,5,29]],"date-time":"2025-05-29T00:00:00Z","timestamp":1748476800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Scientific Research Deanship at the University of Ha\u2019il\u2014Saudi Arabia","award":["RG-23 124"],"award-info":[{"award-number":["RG-23 124"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Toxics"],"abstract":"<jats:p>Glyphosate (N-phosphonomethylglycine) is a widely used organophosphorus herbicide that inhibits the shikimate pathway, a crucial metabolic route responsible for the synthesis of aromatic amino acids in plants and certain microorganisms. Due to its broad-spectrum activity, glyphosate serves as the main active ingredient in various commercial herbicide formulations, including Roundup and Kalach 360 SL (KL). It poses a health hazard to animals and humans due to its persistence in soil, water erosion, and crops. The aim of our study was to continue the previous research to explore the impact of KL on bone using physico-chemical parameters and in silico studies after exposing female wistar rats for 60 days. The in silico study concerned the assessment of binding affinity and molecular interactions using computational modeling approach. The rats were allocated into three experimental groups: group 1 (n = 6) served as controls, while groups 2 and 3 received low and high doses (Dose 1: 126 mg\/Kg and Dose 2: 315 mg\/Kg) of KL dissolved in water, respectively. All rats were sacrificed after 60 days of exposure. XRD and FTIR spectrum analysis of bone tissues in female rats showed significant histoarchitectural changes associated with bone mineralization disruption. Our results have demonstrated that sub-chronic exposure of adult female rats to KL causes bone rarefaction, as confirmed by a previous histological study. This physico-chemical study has further confirmed the harmful impact of KL on the crystalline fraction of bone tissue, composed of hydroxyapatite crystals. In addition, the computational analyses showed that glyphosate binds to 3 Glu form of osteocalcin (3 Glu-OCN) (4MZZ) and decarboxylated osteocalcin (8I75) with good affinities and strong molecular interactions, which justified and supported the in vivo findings. In conclusion, KL may interfere with hydroxyapatite and osteocalcin and, therefore, impair bone remodeling and metabolism.<\/jats:p>","DOI":"10.3390\/toxics13060456","type":"journal-article","created":{"date-parts":[[2025,5,30]],"date-time":"2025-05-30T06:14:27Z","timestamp":1748585667000},"page":"456","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Physicochemical Exploration and Computational Analysis of Bone After Subchronic Exposure to Kalach 360 SL in Female Wistar Rats"],"prefix":"10.3390","volume":"13","author":[{"given":"Latifa","family":"Hamdaoui","sequence":"first","affiliation":[{"name":"Laboratory of Induced Diseases and Development, Sfax Faculty of Medicine, University of Sfax, Sfax 3029, Tunisia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hafedh","family":"El Feki","sequence":"additional","affiliation":[{"name":"Faculty of Sciences of Sfax, University of Sfax, Sfax 3029, Tunisia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marwa","family":"Ben Amor","sequence":"additional","affiliation":[{"name":"Laboratory of Induced Diseases and Development, Sfax Faculty of Medicine, University of Sfax, Sfax 3029, Tunisia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hassane","family":"Oudadesse","sequence":"additional","affiliation":[{"name":"University of Rennes, CNRS, ISCR-UMR 6226, F-35000 Rennes, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9054-7744","authenticated-orcid":false,"given":"Riadh","family":"Badraoui","sequence":"additional","affiliation":[{"name":"Laboratory of General Biology, Department of Biology, College of Science, University of Ha\u2019il, Ha\u2019il 81451, Saudi Arabia"},{"name":"Section of Histology-Cytology & Cytogenetics, Faculty of Medicine of Tunis, University of Tunis El Manar, La Rabta-Tunis 1007, Tunisia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7868-7565","authenticated-orcid":false,"given":"Naila","family":"Khalil","sequence":"additional","affiliation":[{"name":"Department of Population and Public Health Sciences, Boonshoft School of Medicine, Wright State University, Dayton, OH 45435, USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-0672-535X","authenticated-orcid":false,"given":"Faten","family":"Brahmi","sequence":"additional","affiliation":[{"name":"Laboratory of General Biology, Department of Biology, College of Science, University of Ha\u2019il, Ha\u2019il 81451, Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Saoussen","family":"Jilani","sequence":"additional","affiliation":[{"name":"Laboratory of General Biology, Department of Biology, College of Science, University of Ha\u2019il, Ha\u2019il 81451, Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Bandar","family":"Aloufi","sequence":"additional","affiliation":[{"name":"Laboratory of General Biology, Department of Biology, College of Science, University of Ha\u2019il, Ha\u2019il 81451, Saudi Arabia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3027-2747","authenticated-orcid":false,"given":"Ibtissem","family":"Ben Amara","sequence":"additional","affiliation":[{"name":"Laboratory of Medicinal and Environment Chemistry, Higher Institute of Biotechnology, University of Sfax, Sfax 3000, Tunisia"},{"name":"Tropical Biome and Immunopathology CNRS UMR-9017, Inserm U 1019, University of Guiana, 97300 Cayenne, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tarek","family":"Rebai","sequence":"additional","affiliation":[{"name":"Laboratory of Induced Diseases and Development, Sfax Faculty of Medicine, University of Sfax, Sfax 3029, Tunisia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2025,5,29]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"108853","DOI":"10.1016\/j.reprotox.2025.108853","article-title":"Impact of sub-chronic exposure to Kalach on male reproductive system and sperm function: In silico modelling and in vivo study in rats","volume":"132","author":"Hamdaoui","year":"2025","journal-title":"Reprod. 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