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Peer-reviewedCC BY-NCRSC advances

1,2,3-Triazolyl indole-piperazine hybrids as potential anti-tubercular agents: design, synthesis, in vitro, and in silico evaluation.

  • Rajkumar Reddyrajula1
  • Umadevi Etikyala2
  • Mohammed Muzaffar-Ur-Rehman3
  • Sampat Parayya Vibhutimath4
  • Udayakumar Dalimba4
  • Shreeganesh Subraya Hegde4,5
  • Chandra Sekhar Kondapalli Venkata Gowri6
  • Vijjulatha Manga2
6 affiliations
  1. 1Department of Chemistry, School of Technology & School of Sciences, Woxsen University Hyderabad-502345 Telangana India [email protected].
  2. 2Medicinal Chemistry Laboratory, Department of Chemistry, Osmania University Hyderabad-500 076 Telangana India [email protected].
  3. 3Medicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology and Science Pilani Pilani Campus Pilani-333031 Rajasthan India.
  4. 4Department of Chemistry, National Institute of Technology Karnataka Surathkal-575025 Mangalore Karnataka India [email protected].
  5. 5Department of Chemistry, School of Engineering, Dayananda Sagar University Harohalli Bengaluru-562112 Karnataka India.
  6. 6Department of Chemistry, Birla Institute of Technology and Science Pilani Hyderabad Campus, Jawahar Nagar, Kapra Mandal Hyderabad 500078 Telangana India.
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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.

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Cite

BibTeXRIS
BibTeX
@article{reddyrajula2026123triazolyl,
  title = {{1,2,3-Triazolyl indole-piperazine hybrids as potential anti-tubercular agents: design, synthesis, in vitro, and in silico evaluation.}},
  author = {Rajkumar Reddyrajula and Umadevi Etikyala and Mohammed Muzaffar-Ur-Rehman and Sampat Parayya Vibhutimath and Udayakumar Dalimba and Shreeganesh Subraya Hegde and Chandra Sekhar Kondapalli Venkata Gowri and Vijjulatha Manga},
  journal = {RSC advances},
  year = {2026},
  month = oct,
  doi = {10.1039/d6ra05893k},
  url = {https://europepmc.org/article/MED/42903586},
  note = {CC BY-NC},
}
RIS
TY  - JOUR
TI  - 1,2,3-Triazolyl indole-piperazine hybrids as potential anti-tubercular agents: design, synthesis, in vitro, and in silico evaluation.
AU  - Rajkumar Reddyrajula
AU  - Umadevi Etikyala
AU  - Mohammed Muzaffar-Ur-Rehman
AU  - Sampat Parayya Vibhutimath
AU  - Udayakumar Dalimba
AU  - Shreeganesh Subraya Hegde
AU  - Chandra Sekhar Kondapalli Venkata Gowri
AU  - Vijjulatha Manga
PY  - 2026
DA  - 2026/10/20
JO  - RSC advances
DO  - 10.1039/d6ra05893k
UR  - https://europepmc.org/article/MED/42903586
AB  - 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.
SN  - 2046-2069
ER  -