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All complexes were fully characterized by spectrochemical methods, and their crystal structures were established by X-ray diffraction analysis. The electrochemical behavior of all complexes was studied by using cyclic voltammetry. The stability of the complexes in solution was investigated using 1H NMR and UV\u2013vis spectroscopies. The anticancer activity of Au(I) complexes was evaluated against a panel of cell lines in comparison with free 1,2-bis(arylimino)aceaphthenes (Ar-Bian) and initial [Au(PPh3)Cl]. All complexes were cytotoxic in a low micromolar range and showed selectivity toward cancer cells in comparison with MRC-5 human lung fibroblasts. The ability of the complexes to bind DNA and BSA was investigated by spectroscopic methods, molecular docking, and molecular dynamics studies. The DNA-damaging activity of gold(I) complexes was evaluated in MCF-7 cells using the comet assay. Reactive oxygen species production in MCF-7 cells was studied using confocal microscopy. The lipophilicity of complexes was determined using the n-octanol\/water shake-flask method. Determination of the cell death pathway was performed using an Annexin-5-FITC\/PI double staining test followed by fluorescence-activated cell sorting (FACS) analysis.<\/jats:p>","DOI":"10.1021\/acs.inorgchem.6c02443","type":"journal-article","created":{"date-parts":[[2026,9,4]],"date-time":"2026-09-04T02:02:01Z","timestamp":1788487321000},"page":"23404-23423","source":"Crossref","is-referenced-by-count":1,"title":["Tuning the\nAnticancer Activity of Gold(I) Complexes\nvia Redox-Active Ar-Bian Ligands: Experimental and Theoretical Insights"],"prefix":"10.1021","volume":"65","author":[{"given":"Nikolay O.","family":"Shaposhnikov","sequence":"first","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]},{"name":"Novosibirsk State University , , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sofia V.","family":"Korotkova","sequence":"additional","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Veronika I.","family":"Komlyagina","sequence":"additional","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ivan V.","family":"Bakaev","sequence":"additional","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anton A.","family":"Ulantikov","sequence":"additional","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Katerina V.","family":"Klimina","sequence":"additional","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]},{"name":"Novosibirsk State University , , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ivan A.","family":"Yakovlev","sequence":"additional","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Natalia V.","family":"Kuratieva","sequence":"additional","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nikolay B.","family":"Kompankov","sequence":"additional","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Iakov S.","family":"Fomenko","sequence":"additional","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Viktoria Yu.","family":"Kharlamova","sequence":"additional","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9833-6060","authenticated-orcid":true,"given":"Michael A.","family":"Shestopalov","sequence":"additional","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nikolai F.","family":"Romashev","sequence":"additional","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]},{"name":"Novosibirsk State University , , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3214-1433","authenticated-orcid":true,"given":"Artem L.","family":"Gushchin","sequence":"additional","affiliation":[{"name":"Nikolaev Institute of Inorganic Chemistry SB RAS , ,","place":["Novosibirsk, Russia, 630090"]},{"name":"Novosibirsk State University , , ,","place":["Novosibirsk, Russia, 630090"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,3]]},"reference":[{"issue":"1","key":"2026101208093524500_cit1","doi-asserted-by":"publisher","first-page":"183","DOI":"10.3390\/biomedicines12010183","article-title":"Overcoming Chemotherapy Resistance in Metastatic Cancer:\nA Comprehensive 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Radiopharm."},{"issue":"3","key":"2026101208093524500_cit14","doi-asserted-by":"publisher","first-page":"1767","DOI":"10.1158\/0008-5472.CAN-05-3405","article-title":"A Novel Small-Molecule\nInhibitor of Protein Kinase\nC\u03b9 Blocks Transformed Growth of Non-Small-Cell Lung Cancer Cells","volume":"66","author":"Stallings-Mann","year":"2006","journal-title":"Cancer Res."},{"issue":"9","key":"2026101208093524500_cit15","doi-asserted-by":"publisher","first-page":"863","DOI":"10.1039\/c1mt00062d","article-title":"Gold Compounds as Therapeutic Agents\nfor Human Diseases","volume":"3","author":"Berners-Price","year":"2011","journal-title":"Metallomics"},{"issue":"43","key":"2026101208093524500_cit16","doi-asserted-by":"publisher","first-page":"4943","DOI":"10.1039\/b705008a","article-title":"Gold(I)\nChloride Adducts of 1,3-Bis(Di-2-Pyridylphosphino)Propane:\nSynthesis, Structural Studies and Antitumour Activity","author":"Humphreys","year":"2007","journal-title":"Dalton Trans."},{"issue":"8","key":"2026101208093524500_cit17","doi-asserted-by":"publisher","first-page":"1794","DOI":"10.1002\/cmdc.201402049","article-title":"Gold(I) N-Heterocyclic\nCarbene Complexes with Naphthalimide Ligands as Combined Thioredoxin\nReductase Inhibitors and DNA Intercalators","volume":"9","author":"Meyer","year":"2014","journal-title":"ChemMedChem"},{"issue":"6","key":"2026101208093524500_cit18","doi-asserted-by":"publisher","first-page":"1205","DOI":"10.1002\/cmdc.201400056","article-title":"Cytotoxic\nGold(I) N-Heterocyclic Carbene Complexes with Phosphane Ligands as\nPotent Enzyme Inhibitors","volume":"9","author":"Rubbiani","year":"2014","journal-title":"ChemMedChem."},{"issue":"24","key":"2026101208093524500_cit19","doi-asserted-by":"publisher","first-page":"8646","DOI":"10.1021\/jm201220n","article-title":"Comparative in Vitro Evaluation of\nN-Heterocyclic Carbene Gold(I) Complexes of the Benzimidazolylidene\nType","volume":"54","author":"Rubbiani","year":"2011","journal-title":"J. Med. Chem."},{"key":"2026101208093524500_cit20","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2024.215845","article-title":"Advances\nin the Chemistry of Redox-Active\nBis(Imino)Acenaphthenes (BIAN): A Case of Transition Metal Complexes","volume":"514","author":"Fomenko","year":"2024","journal-title":"Coord. Chem. Rev."},{"issue":"1","key":"2026101208093524500_cit21","doi-asserted-by":"publisher","DOI":"10.1002\/cctc.202101182","article-title":"Redox-Active\nBIAN-Based Diimine Ligands\nin Metal-Catalyzed Small Molecule Syntheses**","volume":"14","author":"Bernauer","year":"2022","journal-title":"ChemCatChem"},{"issue":"13\u201314","key":"2026101208093524500_cit22","doi-asserted-by":"publisher","first-page":"1580","DOI":"10.1016\/j.ccr.2010.01.009","article-title":"Non-Innocent Ligands in Bioinorganic Chemistry-An Overview","volume":"254","author":"Kaim","year":"2010","journal-title":"Coord. Chem. 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Chem."},{"issue":"8","key":"2026101208093524500_cit25","doi-asserted-by":"publisher","DOI":"10.1002\/asia.202401455","article-title":"Unusual Coordination\nType of the Halogenated Bian Ligands in Silver(I) Complexes","volume":"20","author":"Komlyagina","year":"2025","journal-title":"Chem.\u2500Asian J."},{"issue":"16","key":"2026101208093524500_cit26","doi-asserted-by":"publisher","first-page":"3203","DOI":"10.1002\/cctc.201700144","article-title":"Synthesis and Catalysis of Redox-Active Bis(Imino)Acenaphthene\n(BIAN) Iron Complexes","volume":"9","author":"Villa","year":"2017","journal-title":"ChemCatChem"},{"issue":"17","key":"2026101208093524500_cit27","doi-asserted-by":"publisher","first-page":"5144","DOI":"10.1039\/c2dt11854h","article-title":"Synthesis and Structural\nCharacterisation of (Aryl-BIAN)Copper(i) Complexes and Their Application\nas Catalysts for the Cycloaddition of Azides and Alkynes","volume":"41","author":"Li","year":"2012","journal-title":"Dalton Trans."},{"key":"2026101208093524500_cit28","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2020.112763","article-title":"Potent Half-Sandwich Ru(II) N^N (Aryl-BIAN) Complexes:\nLysosome-Mediated Apoptosis, in Vitro and in Vivo Anticancer Activities","volume":"207","author":"Xu","year":"2020","journal-title":"Eur. J. Med. Chem."},{"issue":"10","key":"2026101208093524500_cit29","doi-asserted-by":"publisher","first-page":"2641","DOI":"10.1002\/1099-0682(200109)2001:10&lt;2641:AID-EJIC2641&gt;3.0.CO;2-C","article-title":"Mixed-Ligand\nCopper(II) Complexes with the Rigid Bidentate Bis(N-Arylimino)Acenaphthene\nLigand: Synthesis, Spectroscopic-, and X-Ray Structural Characterization","volume":"2001","author":"Paulovicova","year":"2001","journal-title":"Eur. J. Inorg. Chem."},{"key":"2026101208093524500_cit30","doi-asserted-by":"publisher","first-page":"182","DOI":"10.1016\/j.jinorgbio.2019.03.015","article-title":"Vanadocene Complexes Bearing N,N\u2032-Chelating\nLigands: Synthesis, Structures and in Vitro Cytotoxic Studies on the\nA549 Lung Adenocarcinoma Cell Line","volume":"195","author":"Melounkova\u0301","year":"2019","journal-title":"J. Inorg.\nBiochem."},{"issue":"11","key":"2026101208093524500_cit31","doi-asserted-by":"publisher","first-page":"2170","DOI":"10.1134\/S1070363220110249","article-title":"Organometallic Anticancer Compounds:\nNovel Half-Sandwich Ru(II)- and Co(II)-Arene Complexes, Their Cytotoxicity,\nand Apoptosis-Inducing Activity in Liver Cancer Cells","volume":"90","author":"Shridhar","year":"2020","journal-title":"Russ. J. Gen. 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Growth Des."},{"issue":"4","key":"2026101208093524500_cit39","doi-asserted-by":"publisher","first-page":"1424","DOI":"10.1021\/jm2010332","article-title":"Rational Approaches to Improving\nSelectivity in Drug Design","volume":"55","author":"Huggins","year":"2012","journal-title":"J. Med. Chem."},{"key":"2026101208093524500_cit40","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2023.135570","article-title":"Synthesis,\nStructure, DNA\/BSA Binding, Antibacterial and Molecular Docking Studies\nof Tetradentate ONNO Schiff Base Metal Complexes","volume":"1287","author":"Salomanravi","year":"2023","journal-title":"J. Mol. 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Chem.\nRes."},{"issue":"3","key":"2026101208093524500_cit45","doi-asserted-by":"publisher","first-page":"373","DOI":"10.1002\/open.202000336","article-title":"Aggregation Behavior\nof Poly(Acrylic Acid-Co-Octadecyl Methacrylate)\nand Bovine Serum Albumin in Aqueous Solutions","volume":"10","author":"Zhou","year":"2021","journal-title":"ChemistryOpen"},{"key":"2026101208093524500_cit46","doi-asserted-by":"publisher","DOI":"10.1155\/2023\/2581653","article-title":"Binding Investigation\nof Some Important Metal Ions Copper (I), Nickel (II), and Aluminium\n(III) with Bovine Serum Albumin Using Valid Spectroscopic Techniques","volume":"2023","author":"Alhazmi","year":"2023","journal-title":"J. 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