{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,2]],"date-time":"2026-10-02T02:28:43Z","timestamp":1790908123713,"version":"4.1.0"},"reference-count":51,"publisher":"Wiley","issue":"9","license":[{"start":{"date-parts":[[2025,7,1]],"date-time":"2025-07-01T00:00:00Z","timestamp":1751328000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2025,7,1]],"date-time":"2025-07-01T00:00:00Z","timestamp":1751328000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemistryOpen"],"published-print":{"date-parts":[[2025,9]]},"abstract":"<jats:p>\n                    Transition metal complexes are considered a significant treatment for cancer diseases because of their efficacy toward cancer cells. However, most of these compounds have limited potential toward cancer cells due to their organic backbone structure. Here, the synthesis and anticancer screening of three different ligand structures of salen copper(II) complexes are reported: [Cu\n                    <jats:sup>II<\/jats:sup>\n                    (salophen)(H\n                    <jats:sub>2<\/jats:sub>\n                    O)\n                    <jats:sub>2<\/jats:sub>\n                    ] (\n                    <jats:bold>1<\/jats:bold>\n                    ), [Cu\n                    <jats:sup>II<\/jats:sup>\n                    (salen)(H\n                    <jats:sub>2<\/jats:sub>\n                    O)\n                    <jats:sub>2<\/jats:sub>\n                    ] (\n                    <jats:bold>2<\/jats:bold>\n                    ), and [Cu\n                    <jats:sup>II<\/jats:sup>\n                    (etho\u2010salen)(H\n                    <jats:sub>2<\/jats:sub>\n                    O)\n                    <jats:sub>2<\/jats:sub>\n                    ] (\n                    <jats:bold>3<\/jats:bold>\n                    ). Using density functional theory\u2010optimized structures, docking active site interactions are evaluated to predict the activity of salen\u2010type ligands and their copper(II) complexes against cyclin\u2010dependent kinase 5 (Cdk5 ) and aromatase cytochrome (P450) proteins. The molecular docking study reveals that among all studied ligands and complexes, [Cu\n                    <jats:sup>II<\/jats:sup>\n                    (salen)(H\n                    <jats:sub>2<\/jats:sub>\n                    O)\n                    <jats:sub>2<\/jats:sub>\n                    ] (\n                    <jats:bold>2<\/jats:bold>\n                    ) has the best docking score value,\n                    <jats:italic>S<\/jats:italic>\n                    \u2009=\u2009\u22128.79 and \u22127.73, with the lowest root mean square deviation (RMSD\u2009=\u20091.02 and 1.09) against proteins Cdk5 and P450, respectively. Anticancer activity against MCF\u20107 and HCT\u2010116 cell lines reveals that [Cu\n                    <jats:sup>II<\/jats:sup>\n                    (salen)(H\n                    <jats:sub>2<\/jats:sub>\n                    O)\n                    <jats:sub>2<\/jats:sub>\n                    ] (\n                    <jats:bold>2<\/jats:bold>\n                    ) shows favorable behavior with IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 212.5 and 98.9\u2009\u03bc\n                    <jats:sc>m<\/jats:sc>\n                    , respectively. Its parent ligand\n                    <jats:bold>2<\/jats:bold>\n                    shows lower potency, with IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 404.7\u2009\u03bc\n                    <jats:sc>m<\/jats:sc>\n                    in MCF\u20107 and 305.2\u2009\u03bc\n                    <jats:sc>m<\/jats:sc>\n                    in HCT\u2010116. Notably, copper(II) complexes display reduced toxicity rather than cisplatin toward normal HFF\u20101 fibroblasts, indicating a more favorable therapeutic window.\n                  <\/jats:p>","DOI":"10.1002\/open.202500061","type":"journal-article","created":{"date-parts":[[2025,7,1]],"date-time":"2025-07-01T12:40:42Z","timestamp":1751373642000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":13,"title":["Salen\u2010Type Copper(II) Complexes: Synthesis, Characterization, Computational Studies, Molecular Docking, Anticancer Potential, and Pharmacokinetic Prediction"],"prefix":"10.1002","volume":"14","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8843-1216","authenticated-orcid":false,"given":"Abdellatif A.","family":"Helaly","sequence":"first","affiliation":[{"name":"Department of Chemistry Faculty of Science King Abdulaziz University (KAU)  Jeddah 21589 Saudi Arabia"},{"name":"Department of Chemistry Faculty of Science Damietta University  Damietta 34517 Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9364-263X","authenticated-orcid":false,"given":"Bandar A.","family":"Babgi","sequence":"additional","affiliation":[{"name":"Department of Chemistry Faculty of Science King Abdulaziz University (KAU)  Jeddah 21589 Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7193-1393","authenticated-orcid":false,"given":"Yoji","family":"Kobayashi","sequence":"additional","affiliation":[{"name":"Center of Renewable Energy and Storage Technologies (CREST) Chemistry Program Division of Physical Sciences and Engineering King Abdullah University of Science and Technology (KAUST)  Thuwal 23955\u20106900 Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7089-368X","authenticated-orcid":false,"given":"Rohit K.","family":"Rai","sequence":"additional","affiliation":[{"name":"Center of Renewable Energy and Storage Technologies (CREST) Chemistry Program Division of Physical Sciences and Engineering King Abdullah University of Science and Technology (KAUST)  Thuwal 23955\u20106900 Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2475-0645","authenticated-orcid":false,"given":"Ehab M. M.","family":"Ali","sequence":"additional","affiliation":[{"name":"Department of Biochemistry Faculty of Science King Abdulaziz University (KAU)  Jeddah 21589 Saudi Arabia"},{"name":"Department of Chemistry Faculty of Science Tanta University  Tanta 31527 Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2888-4293","authenticated-orcid":false,"given":"Abdulaziz A.","family":"Kalantan","sequence":"additional","affiliation":[{"name":"Department of Biochemistry Faculty of Science King Abdulaziz University (KAU)  Jeddah 21589 Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9703-4116","authenticated-orcid":false,"given":"Walid M. 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