{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T04:48:44Z","timestamp":1787028524126,"version":"build-2736575974"},"reference-count":94,"publisher":"MDPI AG","issue":"19","license":[{"start":{"date-parts":[[2023,9,29]],"date-time":"2023-09-29T00:00:00Z","timestamp":1695945600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"University of Ha\u2019il, Saudi Arabia","award":["IFP-22167"],"award-info":[{"award-number":["IFP-22167"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>Pyridoxylidene-aminoguanidine (PLAG) and its transition metal complexes are biologically active compounds with interesting properties. In this contribution, three new metal-PLAG complexes, Zn(PLAG)(SO4)(H2O)].\u2219H2O (Zn-PLAG), [Co(PLAG)2]SO4\u22192H2O (Co-PLAG), and [Fe(PLAG)2]SO4\u22192H2O) (Fe-PLAG), were synthetized and characterized by the X-ray crystallography. The intermolecular interactions governing the stability of crystal structure were compared to those of Cu(PLAG)(NCS)2 (Cu-PLAG) within Hirshfeld surface analysis. The structures were optimized at B3LYP\/6-31+G(d,p)(H,C,N,O,S)\/LanL2DZ (Fe,Co,Zn,Cu), and stability was assessed through Natural Bond Orbital Theory and Quantum Theory of Atoms in Molecules. Special emphasis was put on investigating the ligand\u2019s stability and reactivity. The binding of these compounds to Bovine and Human serum albumin was investigated by spectrofluorometric titration. The importance of complex geometry and various ligands for protein binding was shown. These results were complemented by the molecular docking study to elucidate the most important interactions. The thermodynamic parameters of the binding process were determined. The binding to DNA, as one of the main pathways in the cell death cycle, was analyzed by molecular docking. The cytotoxicity was determined towards HCT116, A375, MCF-7, and A2780 cell lines. The most active compound was Cu-PLAG due to the presence of PLAG and two thiocyanate ligands.<\/jats:p>","DOI":"10.3390\/ijms241914745","type":"journal-article","created":{"date-parts":[[2023,9,29]],"date-time":"2023-09-29T09:39:32Z","timestamp":1695980372000},"page":"14745","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":24,"title":["Synthesis, Structural Characterization, Cytotoxicity, and Protein\/DNA Binding Properties of Pyridoxylidene-Aminoguanidine-Metal (Fe, Co, Zn, Cu) Complexes"],"prefix":"10.3390","volume":"24","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2180-8303","authenticated-orcid":false,"given":"Violeta","family":"Jevtovic","sequence":"first","affiliation":[{"name":"Department of Chemistry, College of Science, University Ha\u2019il, Ha\u2019il 81451, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6331-1354","authenticated-orcid":false,"given":"Munirah Sulaiman Othman","family":"Alhar","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science, University Ha\u2019il, Ha\u2019il 81451, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7083-2257","authenticated-orcid":false,"given":"Dejan","family":"Milenkovi\u0107","sequence":"additional","affiliation":[{"name":"Department of Science, Institute for Information Technologies, University of Kragujevac, Jovana Cviji\u0107a bb, 34000 Kragujevac, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zoran","family":"Markovi\u0107","sequence":"additional","affiliation":[{"name":"Department of Science, Institute for Information Technologies, University of Kragujevac, Jovana Cviji\u0107a bb, 34000 Kragujevac, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4796-6251","authenticated-orcid":false,"given":"Jasmina","family":"Dimitri\u0107 Markovi\u0107","sequence":"additional","affiliation":[{"name":"Faculty of Physical Chemistry, University of Belgrade, Studentski Trg 12\u201316, 11000 Belgrade, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8127-5396","authenticated-orcid":false,"given":"Du\u0161an","family":"Dimi\u0107","sequence":"additional","affiliation":[{"name":"Faculty of Physical Chemistry, University of Belgrade, Studentski Trg 12\u201316, 11000 Belgrade, Serbia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2023,9,29]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"6645","DOI":"10.1039\/C8DT00838H","article-title":"The side effects of platinum-based chemotherapy drugs: A review for chemists","volume":"47","author":"Oun","year":"2018","journal-title":"Dalt. 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