{
  "abstract": "A series of quinoxaline-1,2,4-triazole derivatives (6a-6l) was synthesized and characterized by NMR and mass spectrometry; yields reached 80% for the long-chain alkyl members, which points to substituent architecture as the determining factor in synthetic efficiency. MTT assays against MCF-7, HeLa, and HepG2 cells identified 6e and 6k as the most active compounds, with IC₅₀ values of 50.83-62.69 µg/mL across the three lines. Docking against the adenosine A1 receptor gave binding energies of -9.02 kcal/mol for 6e and -9.24 kcal/mol for 6k, driven by hydrophobic and π-π interactions with key binding-site residues. Ligand-receptor complexes remained stable through 600 ns of molecular dynamics, and umbrella sampling estimated binding free energies of -129.46 and -88.46 kJ/mol, respectively. ADMET predictions indicated drug-likeness and favorable gastrointestinal absorption. 6e and 6k are therefore taken forward as lead candidates for mechanistic, pharmacological and in vivo evaluation.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Chemistry, Yogi Vemana University, Kadapa, Andhra Pradesh, India.",
    "Coromandel Innovation Centre, Coromandel International Limited, Hyderabad, Telangana, India.",
    "Research and Development Department, Denisco Chemicals Pvt Ltd, Hyderabad, Telangana, India.",
    "Department of BMB, School of Allied Healthcare Sciences, Malla Reddy University, Hyderabad, Telangana, India.",
    "Institute of Bioorganic Chemistry of Uzbekistan Academy of Sciences, Tashkent, Uzbekistan.",
    "Laboratory of Experimental Biophysics, Centre for Advanced Technologies, Tashkent, Uzbekistan.",
    "Pharmaceutical Sciences Laboratory, Faculty of Pharmacy, Åbo Akademi University, Turku, Finland.",
    "Institute of Fundamental and Applied Research, National Research University TIIAME, Tashkent, Uzbekistan.",
    "Department of Biotechnology, Tashkent State Technical University, Tashkent, Uzbekistan."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 10,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Bangar Reddy Vancha",
      "orcid": "0009-0005-6907-1442"
    },
    {
      "affs": [
        0
      ],
      "name": "Mandapalli Sreeshitha"
    },
    {
      "affs": [
        0
      ],
      "name": "Shaik Farheen Banu",
      "orcid": "0009-0009-8863-7009"
    },
    {
      "affs": [
        2
      ],
      "name": "Kamala Prasad Vasikarla"
    },
    {
      "affs": [
        2,
        3
      ],
      "name": "Satyanarayana Swamy Vyshnava",
      "orcid": "0000-0001-7579-9476"
    },
    {
      "affs": [
        4,
        5
      ],
      "name": "Mukhriddin Makhkamov",
      "orcid": "0000-0003-1074-5180"
    },
    {
      "affs": [
        6
      ],
      "name": "Parthiban Marimuthu"
    },
    {
      "affs": [
        7,
        8
      ],
      "name": "Jamoliddin Razzokov",
      "orcid": "0000-0002-3098-0797"
    },
    {
      "affs": [
        1
      ],
      "name": "Aminul Islam"
    },
    {
      "affs": [
        0
      ],
      "name": "Peddiahgari Vasu Govardhana Reddy",
      "orcid": "0000-0001-8837-0847"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/dtvpcezhe5jf2.bib",
  "cited_by": 0,
  "doi": "10.1002/cbdv.71770",
  "fulltext_url": "https://europepmc.org/articles/PMC13720960",
  "id": "dtvpcezhe5jf2",
  "issns": [
    "1612-1872",
    "1612-1880"
  ],
  "landing_url": "https://europepmc.org/article/MED/42960685",
  "language": "eng",
  "licence": "CC-BY-NC",
  "licence_label": "CC BY-NC",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nc/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "heading",
      "Research Article"
    ],
    [
      "openalex",
      "1605|Synthesis and Biological Evaluation"
    ]
  ],
  "openalex": "W7224813800",
  "pdf_url": "https://europepmc.org/articles/PMC13720960?pdf=render",
  "pmcid": "PMC13720960",
  "pmid": "42960685",
  "published": "2026-10-30",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/dtvpcezhe5jf2.ris",
  "sources": [
    {
      "first_seen": "2026-11-01T00:20:50Z",
      "native_id": "MED:42960685",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42960685"
    },
    {
      "first_seen": "2026-11-03T12:21:44Z",
      "native_id": "PMC13720960",
      "source": "pmc",
      "url": "https://doi.org/10.1002/cbdv.71770"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1605|Synthesis and Biological Evaluation",
      "subfield": "organic"
    }
  ],
  "title": "Quinoxaline-Triazole Hybrids: Exploring the Impact of Substituent Architecture on Cytotoxic Potency and Receptor Interaction.",
  "title_text": "Quinoxaline-Triazole Hybrids: Exploring the Impact of Substituent Architecture on Cytotoxic Potency and Receptor Interaction.",
  "type": "peer-reviewed",
  "updated_at": "2026-11-03T12:21:44Z",
  "url": "https://research.draconitic.com/paper/dtvpcezhe5jf2",
  "venue": "Chemistry & biodiversity",
  "versions": []
}