{
  "abstract": "Novel thiazolyl–polyphenolic derivatives were designed and synthesized to investigate the influence of aromatic substituents on antioxidant activity, molecular properties, and cytotoxicity. Eight derivatives (E1–E8) were synthesized by a Hantzsch reaction and their structures were confirmed by MS, FT-IR, and 1H/13C NMR spectroscopy. Antioxidant activity was evaluated using DPPH, ABTS, TAC, RP, FRAP, and CUPRAC assays. The experimental results were supported by DFT calculations and SwissADME prediction, while cytotoxicity was evaluated against A549 lung adenocarcinoma cells and normal BJ fibroblasts. The antioxidant activity depended on the nature of the aromatic substituent. Compound E5 showed a superior antioxidant profile, presenting the highest DPPH radical scavenging activity and the strongest reducing power in the RP assay. The theoretical calculations supported these findings, showing favorable HOMO energy and low O–H bond dissociation energy values. Compound E6 showed the highest activity in the CUPRAC assay and exhibited the strongest cytotoxic activity against A549 cells together with the highest selectivity index. All synthesized compounds complied with Lipinski’s rule of five. Overall, the results show that the electronic properties of the aromatic substituent strongly influence both the antioxidant and cytotoxic activities of this series. These compounds may represent useful scaffolds for further development of antioxidant and anticancer agents.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Pharmaceutical Chemistry, “Iuliu Hațieganu” University of Medicine and Pharmacy, 41 Victor Babeș Street, 400012 Cluj-Napoca, Romania",
    "Department of Organic Chemistry, “Iuliu Hațieganu” University of Medicine and Pharmacy, 41 Victor Babeș Street, 400012 Cluj-Napoca, Romania",
    "Department of Toxicology, Faculty of Pharmacy, “Iuliu Hațieganu” University of Medicine and Pharmacy, 8 Victor Babeș, 400012 Cluj-Napoca, Romania",
    "National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donath Street, 400293 Cluj-Napoca, Romania",
    "Department of Pharmaceutical Technology and Biopharmaceutics, “Iuliu Hațieganu” University of Medicine and Pharmacy, 41 Victor Babeș Street, 400012 Cluj-Napoca, Romania",
    "Department of Pharmacognosy, “Iuliu Hațieganu” University of Medicine and Pharmacy, 12 Ion Creangă Street, 400010 Cluj-Napoca, Romania"
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 12,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Alexandra Cătălina Cornea"
    },
    {
      "affs": [
        1
      ],
      "name": "Gabriel Marc",
      "orcid": "0000-0001-9397-0388"
    },
    {
      "affs": [
        2
      ],
      "name": "Ionel Fizeșan"
    },
    {
      "affs": [
        0
      ],
      "name": "Ioana Ionuț"
    },
    {
      "affs": [
        0
      ],
      "name": "Cristina Moldovan",
      "orcid": "0000-0002-5803-6108"
    },
    {
      "affs": [
        0
      ],
      "name": "Anca Stana",
      "orcid": "0000-0002-8453-3642"
    },
    {
      "affs": [
        0
      ],
      "name": "Brîndușa Tiperciuc",
      "orcid": "0000-0002-1333-5649"
    },
    {
      "affs": [
        2
      ],
      "name": "Ionuț-Valentin Creștin",
      "orcid": "0009-0003-7144-0847"
    },
    {
      "affs": [
        3
      ],
      "name": "Adrian Pîrnău",
      "orcid": "0000-0002-2313-9350"
    },
    {
      "affs": [
        4
      ],
      "name": "Laurian Vlase",
      "orcid": "0000-0002-0664-3387"
    },
    {
      "affs": [
        5
      ],
      "name": "Ilioara Oniga",
      "orcid": "0000-0002-7660-9993"
    },
    {
      "affs": [
        0
      ],
      "name": "Ovidiu Oniga"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/4bzweeyd69tra.bib",
  "cited_by": 0,
  "doi": "10.3390/molecules31203620",
  "fulltext_url": "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13707546/?tool=EBI",
  "id": "4bzweeyd69tra",
  "issns": [
    "1420-3049"
  ],
  "landing_url": "https://www.mdpi.com/1420-3049/31/20/3620",
  "language": "eng",
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1605|Synthesis and biological activity"
    ]
  ],
  "openalex": "W7221527520",
  "pdf_url": "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13707546/pdf/?tool=EBI",
  "pmcid": "PMC13707546",
  "pmid": null,
  "published": "2026-10-01",
  "publisher": "MDPI AG",
  "ris": "https://research.draconitic.com/paper/4bzweeyd69tra.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:18:42Z",
      "native_id": "10.3390/molecules31203620",
      "source": "crossref",
      "url": "https://www.mdpi.com/1420-3049/31/20/3620"
    },
    {
      "first_seen": "2026-10-30T12:21:44Z",
      "native_id": "PMC:PMC13707546",
      "source": "europepmc",
      "url": "https://europepmc.org/article/PMC/PMC13707546"
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  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1605|Synthesis and biological activity",
      "subfield": "organic"
    }
  ],
  "title": "Synthesis, Antioxidant Activity, In Silico Evaluation, and Cytotoxicity of Novel Polyphenolic–Methyliden–Hydrazono–Thiazole Derivatives",
  "title_text": "Synthesis, Antioxidant Activity, In Silico Evaluation, and Cytotoxicity of Novel Polyphenolic–Methyliden–Hydrazono–Thiazole Derivatives",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:21:44Z",
  "url": "https://research.draconitic.com/paper/4bzweeyd69tra",
  "venue": "Molecules",
  "versions": []
}