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This study, reported synthesis of Schiff base ligand, (\n                    <jats:italic>Z<\/jats:italic>\n                    )\u20102\u2010[(4\u2010nitrobenzylidene)amino]phenol (HL), derived from\n                    <jats:italic>c<\/jats:italic>\n                    ondensation between 2\u2010aminophenol and 4\u2010nitrobenzaldehyde, and it Co(II), Ni(II), Cu(II), and Zn(II) complexes. The compounds were characterized using NMR, FTIR, UV\u2212Vis, MS, TGA, SEM\u2010EDX, and elemental (CHN) analysis. In addition, solid\u2010state structure of HL was obtained using single\u2010crystal x\u2010ray diffraction. The characterizations show that the ligand coordinated to the metal ions through the oxygen and nitrogen atoms of phenolic and imine moieties, resulting in a homoleptic mononuclear complexes of the form ML\n                    <jats:sub>2<\/jats:sub>\n                    , in which, M represents cobalt, nickel, copper, or zinc, and L stands for the ligand. Stability studies using time\u2010dependent UV\u2212Vis spectroscopy in a 5% DMSO solution showcases the stability of the complexes with constant stability (\n                    <jats:italic>K<\/jats:italic>\n                    ) as 3.76\u00a0\u00d7\u00a010\n                    <jats:sup>3<\/jats:sup>\n                    , 3.51\u00a0\u00d7\u00a010\n                    <jats:sup>3<\/jats:sup>\n                    , 3.30\u00a0\u00d7\u00a010\n                    <jats:sup>3<\/jats:sup>\n                    , and 2.88\u00a0\u00d7\u00a010\n                    <jats:sup>3<\/jats:sup>\n                    for NiL\n                    <jats:sub>2<\/jats:sub>\n                    , CuL\n                    <jats:sub>2<\/jats:sub>\n                    , CoL\n                    <jats:sub>2<\/jats:sub>\n                    , and ZnL\n                    <jats:sub>2<\/jats:sub>\n                    , respectively. Antibacterial and antioxidant activities were evaluated against selected bacteria and DPPH radical, with the complexes outperforming the ligand. Notably, Ni(II) complex showed superior activity, with MIC value as low as 3.9\u00a0\u00b5g\/mL against\n                    <jats:italic>Bacillus subtilis<\/jats:italic>\n                    and IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 2.3\u00a0\u00b5M on DPPH radical. DFT calculations at the B3LYP\/Def2TZVP level supported the experimental results and provided additional insight into the geometry of the complexes. Molecular docking further validated the biological study results, providing insights into the mechanisms of action and binding affinities against the receptor.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202500940","type":"journal-article","created":{"date-parts":[[2025,6,26]],"date-time":"2025-06-26T03:01:23Z","timestamp":1750906883000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":15,"title":["Synthesis, Characterization, Biological Evaluation, DFT Calculations, and Molecular Docking Study of Transition Metal Complexes Derived From a Schiff Base Ligand"],"prefix":"10.1002","volume":"22","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0995-0451","authenticated-orcid":false,"given":"Ibrahim","family":"Waziri","sequence":"first","affiliation":[{"name":"Department of Chemical Sciences University of Johannesburg  Johannesburg South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1192-1916","authenticated-orcid":false,"given":"Olaide O.","family":"Wahab","sequence":"additional","affiliation":[{"name":"Department of Chemical Sciences University of Johannesburg  Johannesburg South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0323-2822","authenticated-orcid":false,"given":"Grema A.","family":"Mala","sequence":"additional","affiliation":[{"name":"Department of Pure and Applied Chemistry, Faculty of Physical Sciences University of Maiduguri  Maiduguri Nigeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Musa B.","family":"Ismaila","sequence":"additional","affiliation":[{"name":"Department of Chemistry, School of Secondary Education, Science Programmes Federal College of Education Kontagora  Kontagora Niger Nigeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-7939-4939","authenticated-orcid":false,"given":"Usman","family":"Umaru","sequence":"additional","affiliation":[{"name":"Department of Chemistry, School of Secondary Education, Science Programmes Federal College of Education Kontagora  Kontagora Niger Nigeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2805-6300","authenticated-orcid":false,"given":"Mostafa S.","family":"Abd El\u2010Maksoud","sequence":"additional","affiliation":[{"name":"Department of Pharmacology and toxicology Al\u2010Azhar University  Assiut Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ibrahim M.","family":"Wakil","sequence":"additional","affiliation":[{"name":"Department of Pure and Applied Chemistry, Faculty of Physical Sciences University of Maiduguri  Maiduguri Nigeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3419-9516","authenticated-orcid":false,"given":"Tunde L.","family":"Yusuf","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Natural and Agricultural Sciences University of Pretoria  Pretoria South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,6,26]]},"reference":[{"key":"e_1_2_12_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.glmedi.2024.100081"},{"key":"e_1_2_12_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jiph.2021.10.020"},{"key":"e_1_2_12_4_1","doi-asserted-by":"publisher","DOI":"10.3389\/fphys.2020.00694"},{"key":"e_1_2_12_5_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms23137273"},{"key":"e_1_2_12_6_1","article-title":"Schiff Bases and Their Possible Therapeutic Applications: A Review","volume":"13","author":"Rao D. 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