{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T09:56:04Z","timestamp":1790762164997,"version":"4.1.0"},"reference-count":39,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2026,9,6]],"date-time":"2026-09-06T00:00:00Z","timestamp":1788652800000},"content-version":"vor","delay-in-days":5,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chem Biol Drug Des"],"published-print":{"date-parts":[[2026,9]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    A series of 10 anthracene derivatives (\n                    <jats:bold>MM\u20101\u2010MM\u201010<\/jats:bold>\n                    ), comprising anthracene cyanoacrylamides (\n                    <jats:bold>MM\u20101\u2010MM\u20105<\/jats:bold>\n                    ) and anthracene hydrazinyl\u2010thiazoles (\n                    <jats:bold>MM\u20106\u2010MM\u201010<\/jats:bold>\n                    ), was synthesized from anthracene\u20109\u2010carbaldehyde and characterized by FT\u2010IR,\n                    <jats:sup>1<\/jats:sup>\n                    H NMR,\n                    <jats:sup>13<\/jats:sup>\n                    C NMR, mass spectrometry, and elemental analysis. The two\u2010family design was used to test whether replacing the cyanoacrylamide linker with a hydrogen\u2010donating hydrazinyl\u2010thiazole unit improves radical\u2010scavenging behavior while retaining the extended anthracene pi\u2010system. Antioxidant activity was evaluated by the DPPH assay using ascorbic acid as the reference.\n                    <jats:bold>MM\u201010 and MM\u20109<\/jats:bold>\n                    were the most active compounds, with IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 0.0033\u2009\u00b1\u20090.0002 and 0.0053\u2009\u00b1\u20090.0003\u2009mg\/mL, respectively, compared with 0.0164\u2009\u00b1\u20090.0006\u2009mg\/mL for ascorbic acid. MM\u20107 and MM\u20106 also showed strong activity, with IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 0.0123\u2009\u00b1\u20090.0006 and 0.0162\u2009\u00b1\u20090.0006\u2009mg\/mL, respectively. Gas\u2010phase DFT calculations were performed at the B3LYP\/6\u2010311G(d, p) level. An exploratory descriptor\u2010activity analysis across the 10 compounds indicated that donor\u2010related descriptors, particularly the nucleophilicity index (Nu), were more closely associated with DPPH potency than the HOMO\u2010LUMO gap considered alone. Because the data set is small, this correlation is interpreted as hypothesis\u2010generating rather than as a generally predictive model. Docking against the KEAP1 Kelch domain (PDB ID: 8IVR) suggested favorable binding poses for\n                    <jats:bold>MM\u20103<\/jats:bold>\n                    ,\n                    <jats:bold>MM\u20107<\/jats:bold>\n                    ,\n                    <jats:bold>MM\u20109<\/jats:bold>\n                    , and\n                    <jats:bold>MM\u201010<\/jats:bold>\n                    relative to the co\u2010crystallized inhibitor. These docking results provide supportive mechanistic hypotheses at the pathway level but do not establish cellular KEAP1 inhibition or biological antioxidant activity. Overall, the experimental data identify the hydrazinyl\u2010thiazole subseries, particularly\n                    <jats:bold>MM\u20107<\/jats:bold>\n                    ,\n                    <jats:bold>MM\u20109<\/jats:bold>\n                    ,\n                    <jats:bold>and MM\u201010<\/jats:bold>\n                    , as promising scaffolds for further cellular, toxicity, and in\u00a0vivo evaluation.\n                  <\/jats:p>","DOI":"10.1111\/cbdd.70392","type":"journal-article","created":{"date-parts":[[2026,9,7]],"date-time":"2026-09-07T05:36:52Z","timestamp":1788759412000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Design, Synthesis, and Biological Evaluation of Anthracene Derivatives as Potent Antioxidants: Experimental,\n                    <scp>DFT<\/scp>\n                    , and Docking Studies"],"prefix":"10.1111","volume":"108","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4875-5835","authenticated-orcid":false,"given":"Mohamed R.","family":"Elmorsy","sequence":"first","affiliation":[{"name":"Department of Chemistry, Faculty of Science Mansoura University  Mansoura Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Menna","family":"Moustafa","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Science Mansoura University  Mansoura Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hassan A.","family":"Etman","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Science Mansoura University  Mansoura Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nashwa M.","family":"El\u2010Metwaly","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science Umm Al\u2010Qura University  Makkah Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9317-2586","authenticated-orcid":false,"given":"Safa A.","family":"Badawy","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Science Mansoura University  Mansoura Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,9,6]]},"reference":[{"key":"e_1_2_10_2_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.6b12031"},{"key":"e_1_2_10_3_1","doi-asserted-by":"publisher","DOI":"10.3923\/rji.2010.129.145"},{"key":"e_1_2_10_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2024.135862"},{"key":"e_1_2_10_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2025.142533"},{"key":"e_1_2_10_6_1","doi-asserted-by":"publisher","DOI":"10.1080\/10942912.2023.2244701"},{"key":"e_1_2_10_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2023.137153"},{"key":"e_1_2_10_8_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja991844p"},{"key":"e_1_2_10_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/cr00017a008"},{"key":"e_1_2_10_10_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.5c02074"},{"key":"e_1_2_10_11_1","unstructured":"Frisch M. 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