{
  "abstract": "Tuberculosis remains one of the major infectious diseases and continues to pose a significant public health challenge globally. In the present study, two sets of novel 1,2,3-triazolyl indole-piperazine derivatives (R1-R17) were designed, synthesized and evaluated for their antitubercular potential against Mycobacterium tuberculosis H37Rv. In addition, toxicity, antibacterial studies, molecular docking, molecular dynamics (MD) simulations, in silico ADME, and DFT analysis were carried out to understand the pharmacological relevance and molecular behavior of the title compounds. The integrated in vitro and in silico studies identified three promising lead molecules (R11, R13 and R15) with significant antitubercular activity and emphasizing the importance of the 1,2,3-triazolyl indole-piperazine scaffold for the development of next-generation anti-TB therapeutics.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Chemistry, School of Technology & School of Sciences, Woxsen University Hyderabad-502345 Telangana India rajkumar.reddyrajula111@gmail.com.",
    "Medicinal Chemistry Laboratory, Department of Chemistry, Osmania University Hyderabad-500 076 Telangana India vijjulathamanga@gmail.com.",
    "Medicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology and Science Pilani Pilani Campus Pilani-333031 Rajasthan India.",
    "Department of Chemistry, National Institute of Technology Karnataka Surathkal-575025 Mangalore Karnataka India udayaravi80@gmail.com.",
    "Department of Chemistry, School of Engineering, Dayananda Sagar University Harohalli Bengaluru-562112 Karnataka India.",
    "Department of Chemistry, Birla Institute of Technology and Science Pilani Hyderabad Campus, Jawahar Nagar, Kapra Mandal Hyderabad 500078 Telangana India."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 8,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Rajkumar Reddyrajula"
    },
    {
      "affs": [
        1
      ],
      "name": "Umadevi Etikyala"
    },
    {
      "affs": [
        2
      ],
      "name": "Mohammed Muzaffar-Ur-Rehman"
    },
    {
      "affs": [
        3
      ],
      "name": "Sampat Parayya Vibhutimath",
      "orcid": "0009-0008-7493-9738"
    },
    {
      "affs": [
        3
      ],
      "name": "Udayakumar Dalimba",
      "orcid": "0000-0002-0493-878X"
    },
    {
      "affs": [
        3,
        4
      ],
      "name": "Shreeganesh Subraya Hegde",
      "orcid": "0000-0003-2678-7481"
    },
    {
      "affs": [
        5
      ],
      "name": "Chandra Sekhar Kondapalli Venkata Gowri",
      "orcid": "0000-0002-2319-8297"
    },
    {
      "affs": [
        1
      ],
      "name": "Vijjulatha Manga",
      "orcid": "0000-0001-9056-8385"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/ezf6bgffznw6m.bib",
  "cited_by": 0,
  "doi": "10.1039/d6ra05893k",
  "fulltext_url": "https://europepmc.org/articles/PMC13681189",
  "id": "ezf6bgffznw6m",
  "issns": [
    "2046-2069"
  ],
  "landing_url": "https://europepmc.org/article/MED/42903586",
  "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",
      "Chemistry"
    ],
    [
      "openalex",
      "1605|Synthesis and Characterization of Heterocyclic Compounds"
    ]
  ],
  "openalex": "W7223060732",
  "pdf_url": "https://europepmc.org/articles/PMC13681189?pdf=render",
  "pmcid": "PMC13681189",
  "pmid": "42903586",
  "published": "2026-10-20",
  "publisher": "Royal Society of Chemistry",
  "ris": "https://research.draconitic.com/paper/ezf6bgffznw6m.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:19:53Z",
      "native_id": "MED:42903586",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42903586"
    },
    {
      "first_seen": "2026-11-07T12:23:35Z",
      "native_id": "PMC13681189",
      "source": "pmc",
      "url": "https://doi.org/10.1039/d6ra05893k"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1605|Synthesis and Characterization of Heterocyclic Compounds",
      "subfield": "organic"
    }
  ],
  "title": "1,2,3-Triazolyl indole-piperazine hybrids as potential anti-tubercular agents: design, synthesis, in vitro, and in silico evaluation.",
  "title_text": "1,2,3-Triazolyl indole-piperazine hybrids as potential anti-tubercular agents: design, synthesis, in vitro, and in silico evaluation.",
  "type": "peer-reviewed",
  "updated_at": "2026-11-08T12:21:03Z",
  "url": "https://research.draconitic.com/paper/ezf6bgffznw6m",
  "venue": "RSC advances",
  "versions": []
}