{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,31]],"date-time":"2026-10-31T20:45:08Z","timestamp":1793479508953,"version":"4.5.0"},"reference-count":60,"publisher":"Springer Science and Business Media LLC","issue":"8","license":[{"start":{"date-parts":[[2026,6,23]],"date-time":"2026-06-23T00:00:00Z","timestamp":1782172800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"},{"start":{"date-parts":[[2026,6,23]],"date-time":"2026-06-23T00:00:00Z","timestamp":1782172800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"}],"funder":[{"name":"Suleyman Demirel University"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Mol Cell Biochem"],"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Within the scope of this investigation, two novel compounds (\n                    <jats:bold>3a<\/jats:bold>\n                    and\n                    <jats:bold>3b<\/jats:bold>\n                    ) were designed and synthesized in two steps. Compounds\n                    <jats:bold>3a<\/jats:bold>\n                    and\n                    <jats:bold>3b<\/jats:bold>\n                    were tested utilizing the MTT study to evaluate their in vitro cytotoxic activity against healthy human embryonic kidney, lung cancer, breast cancer, and human liver cancer cell lines. It was determined that compound\n                    <jats:bold>3b<\/jats:bold>\n                    exhibited high levels of cytotoxic activity against both liver and breast cancer cell lines, with IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 10.83 and 11.55 \u00b5M, respectively. Also, to elucidate the anticancer mechanism of compounds, pro-apoptotic\n                    <jats:italic>BAX<\/jats:italic>\n                    and\n                    <jats:italic>BiD<\/jats:italic>\n                    , anti-apoptotic\n                    <jats:italic>BCL2<\/jats:italic>\n                    and\n                    <jats:italic>BCL-xl<\/jats:italic>\n                    , oxidant enzymes\n                    <jats:italic>PRDX1<\/jats:italic>\n                    and\n                    <jats:italic>SOD1<\/jats:italic>\n                    levels were examined by RT-qPCR. Moreover, cellular oxidative stress levels were spectrophotometrically measured, and cellular senescence was evaluated via the senescence-associated \u03b2-galactosidase test. DFT calculations and RDG, ELF, and LOL analyses were performed to demonstrate the reactivity of these compounds. Compounds significantly down-regulated anti-apoptotic genes, whereas mRNA levels of pro-apoptotic genes were up-regulated in MCF-7 cells. Moreover, oxidative stress status was significantly increased depending on the compound treatment. Consistently, PRDX1 and SOD1 levels were also significantly up-regulated. Furthermore, cellular senescence was significantly induced by the compounds. Fluorescence spectroscopy demonstrated strong binding of both compounds with CT-DNA, characterized by static quenching mechanism and binding constants of 6.02\u2009\u00d7\u200910\n                    <jats:sup>6<\/jats:sup>\n                    M\n                    <jats:sup>\u2212\u20091<\/jats:sup>\n                    (for\n                    <jats:bold>3a<\/jats:bold>\n                    ) and 8.69\u2009\u00d7\u200910\n                    <jats:sup>6<\/jats:sup>\n                    M\n                    <jats:sup>\u2212\u20091<\/jats:sup>\n                    (for\n                    <jats:bold>3b<\/jats:bold>\n                    ), suggesting an intercalative binding mode. In contrast, moderate affinity toward BSA indicated suitable transport characteristics with reduced nonspecific protein binding. Molecular docking studies supported the experimental findings. These combined results verify the potential of the synthesized derivatives as promising candidates for further investigation as biologically active anticancer agents.\n                  <\/jats:p>","DOI":"10.1007\/s11010-026-05600-3","type":"journal-article","created":{"date-parts":[[2026,6,23]],"date-time":"2026-06-23T09:23:29Z","timestamp":1782206609000},"page":"3397-3418","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":15,"title":["Synthesis and multilevel evaluation of benzimidazole-based anticancer compounds: DNA\/serum albumin interaction, and in-depth theoretical insights"],"prefix":"10.1007","volume":"481","author":[{"ORCID":"https:\/\/orcid.org\/0009-0008-0121-0882","authenticated-orcid":false,"given":"Sevgi","family":"Kundu","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1260-9425","authenticated-orcid":false,"given":"Senem","family":"Akkoc","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6835-4436","authenticated-orcid":false,"given":"Yal\u00e7\u0131n","family":"Erzurumlu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6695-6492","authenticated-orcid":false,"given":"Sadeq K.","family":"Alhag","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6661-3625","authenticated-orcid":false,"given":"Lamya Ahmed","family":"Alkeridis","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7868-9085","authenticated-orcid":false,"given":"Mehran","family":"Feizi-Dehnayebi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2026,6,23]]},"reference":[{"key":"5600_CR1","doi-asserted-by":"publisher","first-page":"478","DOI":"10.1016\/j.apsb.2022.09.010","volume":"13","author":"YT Lee","year":"2023","unstructured":"Lee YT, Tan YJ, Oon CE (2023) Benzimidazole and its derivatives as cancer therapeutics: The potential role from traditional to precision medicine. Acta Pharm Sinica B 13:478\u2013497","journal-title":"Acta Pharm Sinica B"},{"key":"5600_CR2","doi-asserted-by":"publisher","DOI":"10.1016\/j.esmorw.2025.100159","volume":"9","author":"F Wong","year":"2025","unstructured":"Wong F, Chua B, Dent R, Hartman M, Lim G, Lim S, Lim S, Li J, Ngeow J, Ong W (2025) Advancing breast cancer research through real-world data from the Singapore Joint Breast Cancer Registry. ESMO Real World Data and Digital Oncology 9:100159","journal-title":"ESMO Real World Data and Digital Oncology"},{"key":"5600_CR3","doi-asserted-by":"publisher","first-page":"44247","DOI":"10.1039\/D0RA09198G","volume":"10","author":"MM Heravi","year":"2020","unstructured":"Heravi MM, Zadsirjan V (2020) Prescribed drugs containing nitrogen heterocycles: an overview. RSC Adv 10:44247\u201344311","journal-title":"RSC Adv"},{"key":"5600_CR4","doi-asserted-by":"publisher","first-page":"143207","DOI":"10.1016\/j.molstruc.2025.143207","volume":"1347","author":"RC Deokar","year":"2025","unstructured":"Deokar RC, Ramanathan K, Thrilokraj R, Sinha S, Singh RV, Mohanasrinivasan V, Dateer RB (2025) Design, synthesis and evaluation of antibacterial activity with library of N, O and S-containing heterocyclic compounds. J Mol Struct 1347:143207","journal-title":"J Mol Struct"},{"key":"5600_CR5","doi-asserted-by":"publisher","first-page":"142357","DOI":"10.1016\/j.molstruc.2025.142357","volume":"1339","author":"R Bonagiri","year":"2025","unstructured":"Bonagiri R, Gani RS, Mathada BS, Hiremath MB, Bashetti NR, Adole VA, Joshi SD, Anjanayya G, Mangalawede SS (2025) Synthesis, spectroscopic, theoretical and computational investigations of novel indole fused tris-heterocyclic compounds: as high portentous antimicrobial agents. J Mol Struct 1339:142357","journal-title":"J Mol Struct"},{"key":"5600_CR6","doi-asserted-by":"publisher","first-page":"142199","DOI":"10.1016\/j.molstruc.2025.142199","volume":"1337","author":"M Al-Azzawi","year":"2025","unstructured":"Al-Azzawi M, Y\u0131lmaz \u0130, Bostanc\u0131 HE (2025) Synthesis and anti-cancer properties of Pd (II) and Pt (II) coordination compounds of heterocyclic Schiff base ligands. J Mol Struct 1337:142199","journal-title":"J Mol Struct"},{"key":"5600_CR7","doi-asserted-by":"publisher","first-page":"136083","DOI":"10.1016\/j.molstruc.2023.136083","volume":"1291","author":"SF Mohamed","year":"2023","unstructured":"Mohamed SF, Abd-Elghaffar HS, Amr AE-GE, Elnaggar DH, Abou-Amra ES, Hosny HM, Mohamed AM (2023) Abd El-Shafy, New poly heterocyclic compounds based on pyrimidine-2-thiones: synthesis, evaluation of putative antiviral agents, DFT calculation, and molecular modeling. J Mol Struct 1291:136083","journal-title":"J Mol Struct"},{"key":"5600_CR8","doi-asserted-by":"publisher","first-page":"142953","DOI":"10.1016\/j.molstruc.2025.142953","volume":"1344","author":"AA Alsfouk","year":"2025","unstructured":"Alsfouk AA, Othman IM, Anwar MM, Saleh A, Tashkandi NY, Nossier ES (2025) New quinazolinone-based heterocyclic compounds as promising antimicrobial agents: Development, DNA gyrase B\/topoisomerase IV inhibition activity, and in silico computational studies. J Mol Struct 1344:142953","journal-title":"J Mol Struct"},{"key":"5600_CR9","doi-asserted-by":"publisher","first-page":"19","DOI":"10.1111\/cbdd.12462","volume":"86","author":"RS Keri","year":"2015","unstructured":"Keri RS, Hiremathad A, Budagumpi S, Nagaraja BM (2015) Comprehensive review in current developments of benzimidazole-based medicinal chemistry. Chem Biol Drug Des 86:19\u201365","journal-title":"Chem Biol Drug Des"},{"key":"5600_CR10","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2024.140324","volume":"1322","author":"A Ghara","year":"2025","unstructured":"Ghara A, Matada GSP, Pramanick P, Sharma UR, Metikurki B, Dhiwar PS (2025) Exploring the molecular insights of imidazole and benzimidazole scaffold for cancer therapy: Synthesis, in-vitro cytotoxicity and SAR studies. J Mol Struct 1322:140324","journal-title":"J Mol Struct"},{"key":"5600_CR11","doi-asserted-by":"publisher","DOI":"10.1016\/j.jics.2024.101445","volume":"101","author":"S Akkoc","year":"2024","unstructured":"Akkoc S (2024) Cytotoxic activity properties of a benzimidazolium salt against lung, liver, and colon cancer cell lines. J Indian Chem Soc 101:101445","journal-title":"J Indian Chem Soc"},{"key":"5600_CR12","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbrc.2024.151024","volume":"741","author":"M Mavvaji","year":"2024","unstructured":"Mavvaji M, Zeyrek CT, Akkoc S (2024) Investigation of the cytotoxic activity, DFT calculation, and docking studies newly synthesized 1, 3-disubstituted benzimidazolium chlorides on human liver cancer, lung cancer, and normal embryonic kidney cell lines. Biochem Biophys Res Commun 741:151024","journal-title":"Biochem Biophys Res Commun"},{"key":"5600_CR13","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2025.141847","volume":"1335","author":"U Y\u0131ld\u0131z","year":"2025","unstructured":"Y\u0131ld\u0131z U, Caymaz B, \u015eeng\u00fcl A, Akkoc S, Acar-Selcuki N, Gercek Z, Coban B (2025) Computational studies and anticancer activities of newly designed and characterized heteroleptic copper (II) complexes of 1, 10-phenanthroline with benzimidazole-imidazopyridine hybrids as DNA groove binders. J Mol Struct 1335:141847","journal-title":"J Mol Struct"},{"key":"5600_CR14","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2022.133822","volume":"1269","author":"K Veena","year":"2022","unstructured":"Veena K, Raghu MS, Kumar KY, Kumar CP, Alharti FA, Prashanth MK, Jeon B-H (2022) Design and synthesis of novel benzimidazole linked thiazole derivatives as promising inhibitors of drug-resistant tuberculosis. J Mol Struct 1269:133822","journal-title":"J Mol Struct"},{"key":"5600_CR15","doi-asserted-by":"publisher","DOI":"10.1016\/j.heliyon.2025.e42674","author":"S K\u0131z\u0131ly\u0131ld\u0131r\u0131m","year":"2025","unstructured":"K\u0131z\u0131ly\u0131ld\u0131r\u0131m S, Sucu B, Muhammed MT, Akko\u00e7 S, Esatbeyoglu T, Ozogul F (2025) Experimental and theoretical studies on antituberculosis activity of different benzimidazole derivatives. Heliyon. https:\/\/doi.org\/10.1016\/j.heliyon.2025.e42674","journal-title":"Heliyon"},{"key":"5600_CR16","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2023.135179","volume":"1282","author":"K El Gadali","year":"2023","unstructured":"El Gadali K, Rafya M, Maatallah M, Mehdi A, Ouahrouch A, Benkhalti F, Sanghvi YS, Taourirte M, Lazrek HB (2023) Synthesis, structural characterization and antibacterial activity evaluation of novel quinolone-1, 2, 3-triazole-benzimidazole hybrids. J Mol Struct 1282:135179","journal-title":"J Mol Struct"},{"key":"5600_CR17","doi-asserted-by":"publisher","DOI":"10.1016\/j.rechem.2025.102647","author":"LG Julius","year":"2025","unstructured":"Julius LG, Koobotse MO, Demissie TB, Matshwele JT, Nareetsile FM, Molefe T, Bati K, Nkwe DO, Mapolelo DT (2025) Synthesis, characterization, anticancer and antibacterial studies of ruthenium (II\/III) benzimidazole complexes. Results in Chemistry. https:\/\/doi.org\/10.1016\/j.rechem.2025.102647","journal-title":"Results in Chemistry"},{"key":"5600_CR18","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2025.141693","volume":"1333","author":"C Arya","year":"2025","unstructured":"Arya C, Kumari J, Kishan J, Goswami K, Sriram D, Salim SA, Pakhira P, Busi S, Alharbi M, Chandrakanth M (2025) 2-Substituted and 1, 2-disubstitued benzimidazole derivatives: synthesis and identification of potential antibacterial agents. J Mol Struct 1333:141693","journal-title":"J Mol Struct"},{"key":"5600_CR19","doi-asserted-by":"publisher","DOI":"10.1016\/j.chphi.2025.100875","volume":"10","author":"M Rudrapal","year":"2025","unstructured":"Rudrapal M, Mojammil M, Farooque A, Ansari M, de Oliveira AM, Khan J (2025) Synthesis, toxicity and antioxidant activity of phenolic benzimidazole derivatives: In vitro and in silico studies. Chem Phys Impact 10:100875","journal-title":"Chem Phys Impact"},{"key":"5600_CR20","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2025.143418","author":"M Tariq","year":"2025","unstructured":"Tariq M, Hussain R, Sardar A, Rahim F, Khan S, Umer U, Rehman W, Khan Y, Iqbal T, Sarfraz H (2025) Integrating kinetic mechanism of novel benzimidazole derivatives as potential acetylcholinesterase inhibitors: Insight into in-vitro and in-silico approaches. J Mol Struct. https:\/\/doi.org\/10.1016\/j.molstruc.2025.143418","journal-title":"J Mol Struct"},{"key":"5600_CR21","doi-asserted-by":"publisher","first-page":"16349","DOI":"10.1039\/D4RA00557K","volume":"14","author":"H-F Lin","year":"2024","unstructured":"Lin H-F, Jiang Y-C, Chen Z-W, Zheng L-L (2024) Design, synthesis, and anti-inflammatory activity of indole-2-formamide benzimidazole [2, 1-b] thiazole derivatives. RSC Adv 14:16349\u201316357","journal-title":"RSC Adv"},{"key":"5600_CR22","doi-asserted-by":"publisher","first-page":"60","DOI":"10.1016\/j.ygyno.2024.06.011","volume":"188","author":"B Koh","year":"2024","unstructured":"Koh B, Ryu J-Y, Noh JJ, Hwang JR, Choi J-J, Cho Y-J, Jang J, Jo JH, Lee K, Lee J-W (2024) Anti-cancer effects of benzimidazole derivative BNZ-111 on paclitaxel-resistant ovarian cancer. Gynecol Oncol 188:60\u201370","journal-title":"Gynecol Oncol"},{"key":"5600_CR23","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2024.107284","volume":"146","author":"HG Abdulwahab","year":"2024","unstructured":"Abdulwahab HG, Mansour R-S, Farghaly TA, El-Sehrawi HM (2024) Discovery of novel benzimidazole derivatives as potent HDACs inhibitors against leukemia with (Thio) Hydantoin as zinc-binding moiety: Design, synthesis, enzyme inhibition, and cellular mechanistic study. Bioorg Chem 146:107284","journal-title":"Bioorg Chem"},{"key":"5600_CR24","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiomed.2025.109969","volume":"189","author":"E Belghalia","year":"2025","unstructured":"Belghalia E, Elbamtari F, Jawi M, Guendouzi A, Sbai A, Choukrad M, Lakhlifi T, Bouachrine M (2025) Pyrazole-benzimidazole derivatives targeting MCF-7 breast cancer cells as potential anti-proliferative agents. 3D QSAR and In-silico investigations via molecular docking and molecular dynamics simulations. Comput Biol Med 189:109969","journal-title":"Comput Biol Med"},{"key":"5600_CR25","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2020.104125","volume":"102","author":"NS Goud","year":"2020","unstructured":"Goud NS, Pooladanda V, Chandra KM, Soukya PL, Alvala R, Kumar P, Nagaraj C, Bharath RD, Qureshi IA, Godugu C (2020) Novel benzimidazole-triazole hybrids as apoptosis inducing agents in lung cancer: Design, synthesis, 18F-radiolabeling & galectin-1 inhibition studies. Bioorg Chem 102:104125","journal-title":"Bioorg Chem"},{"key":"5600_CR26","doi-asserted-by":"publisher","DOI":"10.25259\/jksus_392_2024","author":"E Bilici","year":"2025","unstructured":"Bilici E, Akkoc S (2025) Impact of a benzimidazole salt on gene expression, cytotoxicity, and apoptotic processes in HepG2 cell line. J King Saud Univ-Sci. https:\/\/doi.org\/10.25259\/jksus_392_2024","journal-title":"J King Saud Univ-Sci"},{"key":"5600_CR27","doi-asserted-by":"publisher","DOI":"10.3390\/medicina60091379","volume":"60","author":"S Al-Nasser","year":"2024","unstructured":"Al-Nasser S, Abdulla MH, Alhassan N, Vaali-Mohammed M-A, Al-Omar S, Hamdi N, Elnakady Y, Matou-Nasri S, Mansour L (2024) A benzimidazole-based N-heterocyclic carbene derivative exhibits potent antiproliferative and apoptotic effects against colorectal cancer. Medicina (B Aires) 60:1379","journal-title":"Medicina (B Aires)"},{"key":"5600_CR28","doi-asserted-by":"publisher","DOI":"10.3389\/fphar.2024.1358089","volume":"15","author":"A Barakat","year":"2024","unstructured":"Barakat A, Alshahrani S, Al-Majid AM, Alamary AS, Haukka M, Abu-Serie MM, D\u00f6mling A, Domingo LR, Elshaier YA (2024) Activation of p53 signaling and regression of breast and prostate carcinoma cells by spirooxindole-benzimidazole small molecules. Front Pharmacol 15:1358089","journal-title":"Front Pharmacol"},{"key":"5600_CR29","doi-asserted-by":"publisher","DOI":"10.1016\/j.redox.2021.102032","volume":"45","author":"NY Ngoi","year":"2021","unstructured":"Ngoi NY, Liew AQ, Chong SJ, Davids MS, Clement M-V, Pervaiz S (2021) The redox-senescence axis and its therapeutic targeting. Redox Biol 45:102032","journal-title":"Redox Biol"},{"key":"5600_CR30","doi-asserted-by":"publisher","first-page":"985363","DOI":"10.3389\/fonc.2022.985363","volume":"12","author":"S Qian","year":"2022","unstructured":"Qian S, Wei Z, Yang W, Huang J, Yang Y, Wang J (2022) The role of BCL-2 family proteins in regulating apoptosis and cancer therapy. Front Oncol 12:985363","journal-title":"Front Oncol"},{"key":"5600_CR31","doi-asserted-by":"publisher","first-page":"2","DOI":"10.1186\/s43556-024-00239-2","volume":"6","author":"Y Gu","year":"2025","unstructured":"Gu Y, Yang R, Zhang Y, Guo M, Takehiro K, Zhan M, Yang L, Wang H (2025) Molecular mechanisms and therapeutic strategies in overcoming chemotherapy resistance in cancer. Mol Biomed 6:2","journal-title":"Mol Biomed"},{"key":"5600_CR32","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbrc.2025.152472","author":"S Kundu","year":"2025","unstructured":"Kundu S, Feizi-Dehnayebi M, Akkoc S (2025) Exploring the anticancer potential of novel benzimidazolium salts: synthesis, biological evaluation, DFT perspective, and docking simulation for inhibition of VEGFR2. Biochem Biophys Res Commun. https:\/\/doi.org\/10.1016\/j.bbrc.2025.152472","journal-title":"Biochem Biophys Res Commun"},{"key":"5600_CR33","doi-asserted-by":"publisher","first-page":"793","DOI":"10.1007\/s12079-022-00720-z","volume":"17","author":"Y Erzurumlu","year":"2023","unstructured":"Erzurumlu Y, Dogan HK, Catakli D, Aydogdu E, Muhammed MT (2023) Estrogens drive the endoplasmic reticulum-associated degradation and promote proto-oncogene c-Myc expression in prostate cancer cells by androgen receptor\/estrogen receptor signaling. J Cell Communication Signal 17:793\u2013811","journal-title":"J Cell Communication Signal"},{"key":"5600_CR34","doi-asserted-by":"publisher","first-page":"402","DOI":"10.1006\/meth.2001.1262","volume":"25","author":"KJ Livak","year":"2001","unstructured":"Livak KJ, Schmittgen TD (2001) Analysis of relative gene expression data using real-time quantitative PCR and the 2\u2212 \u0394\u0394CT method. Methods 25:402\u2013408","journal-title":"Methods"},{"key":"5600_CR35","doi-asserted-by":"publisher","first-page":"258","DOI":"10.1089\/can.2023.0284","volume":"10","author":"Y Erzurumlu","year":"2025","unstructured":"Erzurumlu Y, Catakli D (2025) Cannabidiol enhances the anticancer activity of etoposide on prostate cancer cells. Cannabis Cannabinoid Res 10:258\u2013276","journal-title":"Cannabis Cannabinoid Res"},{"key":"5600_CR36","unstructured":"M. Frisch, gaussian 09, Revision d. 01, Gaussian, Inc. Wallingford CT, 201 (2009)"},{"key":"5600_CR37","doi-asserted-by":"publisher","first-page":"2785","DOI":"10.1002\/jcc.21256","volume":"30","author":"GM Morris","year":"2009","unstructured":"Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS, Olson AJ (2009) AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. J Comput Chem 30:2785\u20132791","journal-title":"J Comput Chem"},{"key":"5600_CR38","unstructured":"Tools A (2016) 1.5. 6 (ADT)\/MGL Tools 1.5. 6, The Scripps Research Institute, (2012)"},{"key":"5600_CR39","doi-asserted-by":"publisher","first-page":"25","DOI":"10.1007\/s13659-025-00511-0","volume":"15","author":"P Quintero-Rinc\u00f3n","year":"2025","unstructured":"Quintero-Rinc\u00f3n P, Caballero-Gallardo K, Olivero-Verbel J (2025) Natural anticancer agents: prospection of medicinal and aromatic plants in modern chemoprevention and chemotherapy. Nat Prod Bioprospecting 15:25","journal-title":"Nat Prod Bioprospecting"},{"key":"5600_CR40","doi-asserted-by":"publisher","first-page":"408","DOI":"10.37349\/eds.2024.00054","volume":"2","author":"S Safe","year":"2024","unstructured":"Safe S (2024) Natural products as anticancer agents and enhancing their efficacy by a mechanism-based precision approach. Explor Drug Sci 2:408\u2013427","journal-title":"Explor Drug Sci"},{"key":"5600_CR41","doi-asserted-by":"publisher","first-page":"679","DOI":"10.3390\/biom9110679","volume":"9","author":"J Sharifi-Rad","year":"2019","unstructured":"Sharifi-Rad J, Ozleyen A, Boyunegmez Tumer T, Oluwaseun Adetunji C, El Omari N, Balahbib A, Taheri Y, Bouyahya A, Martorell M, Martins N (2019) Natural products and synthetic analogs as a source of antitumor drugs. Biomolecules 9:679","journal-title":"Biomolecules"},{"key":"5600_CR42","doi-asserted-by":"publisher","first-page":"91","DOI":"10.1038\/s41392-025-02176-0","volume":"10","author":"M Vogler","year":"2025","unstructured":"Vogler M, Braun Y, Smith VM, Westhoff M-A, Pereira RS, Pieper NM, Anders M, Callens M, Vervliet T, Abbas M (2025) The BCL2 family: from apoptosis mechanisms to new advances in targeted therapy. Signal Transduct Target Therapy 10:91","journal-title":"Signal Transduct Target Therapy"},{"key":"5600_CR43","doi-asserted-by":"publisher","first-page":"651","DOI":"10.3390\/antiox12030651","volume":"12","author":"E Maldonado","year":"2023","unstructured":"Maldonado E, Morales-Pison S, Urbina F, Solari A (2023) Aging hallmarks and the role of oxidative stress. Antioxidants 12:651","journal-title":"Antioxidants"},{"key":"5600_CR44","doi-asserted-by":"publisher","first-page":"1188","DOI":"10.3390\/antiox9121188","volume":"9","author":"J Van Loenhout","year":"2020","unstructured":"Van Loenhout J, Peeters M, Bogaerts A, Smits E, Deben C (2020) Oxidative stress-inducing anticancer therapies: taking a closer look at their immunomodulating effects. Antioxidants 9:1188","journal-title":"Antioxidants"},{"key":"5600_CR45","doi-asserted-by":"publisher","first-page":"219","DOI":"10.1186\/s12943-025-02375-x","volume":"24","author":"X Liang","year":"2025","unstructured":"Liang X, Weng J, You Z, Wang Y, Wen J, Xia Z, Huang S, Luo P, Cheng Q (2025) Oxidative stress in cancer: From tumor and microenvironment remodeling to therapeutic frontiers. Mol Cancer 24:219","journal-title":"Mol Cancer"},{"key":"5600_CR46","doi-asserted-by":"publisher","first-page":"775","DOI":"10.1124\/jpet.111.183533","volume":"338","author":"Y Sun","year":"2011","unstructured":"Sun Y, Huang L, Mackenzie GG, Rigas B (2011) Oxidative stress mediates through apoptosis the anticancer effect of phospho-nonsteroidal anti-inflammatory drugs: implications for the role of oxidative stress in the action of anticancer agents. J Pharmacol Exp Ther 338:775\u2013783","journal-title":"J Pharmacol Exp Ther"},{"key":"5600_CR47","doi-asserted-by":"publisher","first-page":"1002","DOI":"10.3390\/antiox14081002","volume":"14","author":"N Brandl","year":"2025","unstructured":"Brandl N, Seitz R, Sendtner N, M\u00fcller M, G\u00fclow K (2025) Living on the edge: ROS homeostasis in cancer cells and its potential as a therapeutic target. Antioxidants 14:1002","journal-title":"Antioxidants"},{"key":"5600_CR48","doi-asserted-by":"publisher","first-page":"193","DOI":"10.1111\/jcmm.12955","volume":"21","author":"C Ding","year":"2017","unstructured":"Ding C, Fan X, Wu G (2017) Peroxiredoxin 1\u2013an antioxidant enzyme in cancer. J Cell Mol Med 21:193\u2013202","journal-title":"J Cell Mol Med"},{"key":"5600_CR49","doi-asserted-by":"publisher","first-page":"9215","DOI":"10.1002\/anie.202000451","volume":"60","author":"BG Trist","year":"2021","unstructured":"Trist BG, Hilton JB, Hare DJ, Crouch PJ, Double KL (2021) Superoxide dismutase 1 in health and disease: how a frontline antioxidant becomes neurotoxic. Angew Chem Int Ed 60:9215\u20139246","journal-title":"Angew Chem Int Ed"},{"key":"5600_CR50","doi-asserted-by":"publisher","first-page":"119215","DOI":"10.1016\/j.saa.2020.119215","volume":"249","author":"M Feizi-Dehnayebi","year":"2021","unstructured":"Feizi-Dehnayebi M, Dehghanian E, Mansouri-Torshizi H (2021) A novel palladium (II) antitumor agent: Synthesis, characterization, DFT perspective, CT-DNA and BSA interaction studies via in-vitro and in-silico approaches. Spectrochim Acta Part A Mol Biomol Spectrosc 249:119215","journal-title":"Spectrochim Acta Part A Mol Biomol Spectrosc"},{"key":"5600_CR51","doi-asserted-by":"publisher","first-page":"8708","DOI":"10.1039\/C5NJ01280E","volume":"39","author":"K Karami","year":"2015","unstructured":"Karami K, Lighvan ZM, Barzani SA, Faal AY, Poshteh-Shirani M, Khayamian T, Eigner V, Du\u0161ek M (2015) Design and synthesis of a novel trinuclear palladium (ii) complex containing an oxime chelate ligand: Determining the interaction mechanism with the DNA groove and BSA site I by spectroscopic and molecular dynamics simulation approaches. New J Chem 39:8708\u20138719","journal-title":"New J Chem"},{"key":"5600_CR52","doi-asserted-by":"crossref","unstructured":"Lakowicz JR (2006) Principles of fluorescence spectroscopy. Springer","DOI":"10.1007\/978-0-387-46312-4"},{"key":"5600_CR53","doi-asserted-by":"publisher","first-page":"4171","DOI":"10.1021\/bi00745a021","volume":"12","author":"JR Lakowicz","year":"1973","unstructured":"Lakowicz JR, Weber G (1973) Quenching of protein fluorescence by oxygen. Detection of structural fluctuations in proteins on the nanosecond time scale. Biochemistry 12:4171\u20134179","journal-title":"Biochemistry"},{"key":"5600_CR54","doi-asserted-by":"publisher","first-page":"7170","DOI":"10.1021\/ic049883b","volume":"43","author":"M Baldini","year":"2004","unstructured":"Baldini M, Belicchi-Ferrari M, Bisceglie F, Dall\u2019Aglio PP, Pelosi G, Pinelli S, Tarasconi P (2004) Copper (II) complexes with substituted thiosemicarbazones of \u03b1-ketoglutaric acid: synthesis, X-ray structures, DNA binding studies, and nuclease and biological activity. Inorg Chem 43:7170\u20137179","journal-title":"Inorg Chem"},{"key":"5600_CR55","doi-asserted-by":"publisher","first-page":"117853","DOI":"10.1016\/j.molliq.2021.117853","volume":"344","author":"M Feizi-Dehnayebi","year":"2021","unstructured":"Feizi-Dehnayebi M, Dehghanian E, Mansouri-Torshizi H (2021) DNA\/BSA binding affinity studies of new Pd (II) complex with SS and NN donor mixed ligands via experimental insight and molecular simulation: Preliminary antitumor activity, lipophilicity and DFT perspective. J Mol Liq 344:117853","journal-title":"J Mol Liq"},{"key":"5600_CR56","doi-asserted-by":"publisher","first-page":"105473","DOI":"10.1016\/j.compbiomed.2022.105473","volume":"145","author":"A Ragab","year":"2022","unstructured":"Ragab A, Ammar YA, Ezzat A, Mahmoud AM, Mohamed MBI, El-Tabl AS, Farag RS (2022) Synthesis, characterization, thermal properties, antimicrobial evaluation, ADMET study, and molecular docking simulation of new mono Cu (II) and Zn (II) complexes with 2-oxoindole derivatives. Comput Biol Med 145:105473","journal-title":"Comput Biol Med"},{"key":"5600_CR57","doi-asserted-by":"publisher","first-page":"127475","DOI":"10.1016\/j.molliq.2025.127475","volume":"428","author":"M Feizi-Dehnayebi","year":"2025","unstructured":"Feizi-Dehnayebi M, Ziarani GM, Lohith T, Ghareghomi S, Panahande Z, Farsadrooh M, Majidinia M (2025) Probing the biological activity of isatin derivatives against human lung cancer A549 cells: Cytotoxicity, CT-DNA\/BSA binding, DFT\/TD-DFT, topology, ADME-Tox, docking and dynamic simulations. J Mol Liq 428:127475","journal-title":"J Mol Liq"},{"key":"5600_CR58","doi-asserted-by":"publisher","first-page":"42705","DOI":"10.1038\/s41598-025-26721-7","volume":"15","author":"M Feizi-Dehnayebi","year":"2025","unstructured":"Feizi-Dehnayebi M, Mohammadi Ziarani G, Reiisi S, Farsadrooh M, Panahande Z, Mansouri-Torshizi H, Akkoc S (2025) Biological evaluations and biomolecular interactions along with computational insights of arylidene isatin hydrazones synthesized using nanocatalyst. Sci Rep 15:42705","journal-title":"Sci Rep"},{"key":"5600_CR59","doi-asserted-by":"publisher","DOI":"10.1016\/j.rechem.2025.102992","author":"F Farzandi","year":"2025","unstructured":"Farzandi F, Ziarani GM, Reiisi S, Badiei A, Feizi-Dehnayebi M (2025) Tetrazole-based fluorescent probe for sensitive detection of Cu2+: photoluminescence, biological activity, DNA\/BSA interaction, and theoretical insights. Results in Chemistry. https:\/\/doi.org\/10.1016\/j.rechem.2025.102992","journal-title":"Results in Chemistry"},{"key":"5600_CR60","doi-asserted-by":"publisher","first-page":"2367","DOI":"10.1007\/s11030-024-10996-5","volume":"29","author":"SA Hassan","year":"2025","unstructured":"Hassan SA, Aziz DM, Kader DA, Rasul SM, Muhamad MA, Muhammedamin AA (2025) Design, synthesis, and computational analysis (molecular docking, DFT, MEP, RDG, ELF) of diazepine and oxazepine sulfonamides: biological evaluation for in vitro and in vivo anti-inflammatory, antimicrobial, and cytotoxicity predictions. Mol Diversity 29:2367\u20132389","journal-title":"Mol Diversity"}],"container-title":["Molecular and Cellular Biochemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11010-026-05600-3.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s11010-026-05600-3","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11010-026-05600-3.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,28]],"date-time":"2026-08-28T10:02:51Z","timestamp":1787911371000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s11010-026-05600-3"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,6,23]]},"references-count":60,"journal-issue":{"issue":"8","published-online":{"date-parts":[[2026,8]]}},"alternative-id":["5600"],"URL":"https:\/\/doi.org\/10.1007\/s11010-026-05600-3","relation":{},"ISSN":["1573-4919"],"issn-type":[{"value":"1573-4919","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,6,23]]},"assertion":[{"value":"31 March 2026","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"9 June 2026","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"23 June 2026","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"The authors declare no competing interests.","order":1,"name":"Ethics","label":"Competing interests","group":{"name":"EthicsHeading","label":"Declarations"}}]}}