Design, Molecular Docking, Synthesis and Biological Study of Pyrazole Containing Hydrazinyl Pyrimidine Derivatives with Potent Antitubercular Activity

  • Unique Paper ID: 172845
  • PageNo: 1036-1042
  • Abstract:
  • A series of novel pyrazole-containing hydrazinyl pyrimidine derivatives were designed and subjected to molecular docking studies to investigate the binding interactions of the designed compounds with Protein (PDB ID: 5V3Y) involved in the survival of Mycobacterium tuberculosis. The Compounds 2a-2f shows favourable binding affinities and provided insight into the mechanisms of action. Those good binding energy compounds were synthesized from substituted acetophenone and substituted benzaldehyde to get the pyrazole-containing hydrazinyl pyrimidine derivatives and characterized by analytical IR, 1HNMR and ESI-Mass spectrometry. Later, the synthesized compounds were evaluated for in-vitro anti-tubercular activity against Mycobacterium tuberculosis for MTCC 300 strains, where the Compound 2a, 2b and 2d revealed the good antitubercular activity when compared with Rifampicin as the standard drug, suggests that these pyrazole-pyrimidine derivatives hold potential as effective candidates for the development of new antitubercular agents.

Copyright & License

Copyright © 2026 Authors retain the copyright of this article. This article is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

BibTeX

@article{172845,
        author = {Rashmi T and Swaroopa H M and Vinutha S and Bhagya A M},
        title = {Design, Molecular Docking, Synthesis and Biological Study of Pyrazole Containing Hydrazinyl Pyrimidine Derivatives with Potent Antitubercular Activity},
        journal = {International Journal of Innovative Research in Technology},
        year = {2025},
        volume = {11},
        number = {9},
        pages = {1036-1042},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=172845},
        abstract = {A series of novel pyrazole-containing hydrazinyl pyrimidine derivatives were designed and subjected to molecular docking studies to investigate the binding interactions of the designed compounds with Protein (PDB ID: 5V3Y) involved in the survival of Mycobacterium tuberculosis. The Compounds 2a-2f shows favourable binding affinities and provided insight into the mechanisms of action. Those good binding energy compounds were synthesized from substituted acetophenone and substituted benzaldehyde to get the pyrazole-containing hydrazinyl pyrimidine derivatives and characterized by analytical IR, 1HNMR and ESI-Mass spectrometry. Later, the synthesized compounds were evaluated for in-vitro anti-tubercular activity against Mycobacterium tuberculosis for MTCC 300 strains, where the Compound 2a, 2b and 2d revealed the good antitubercular activity when compared with Rifampicin as the standard drug, suggests that these pyrazole-pyrimidine derivatives hold potential as effective candidates for the development of new antitubercular agents.},
        keywords = {Pyrazole, Hydrazinyl Pyrimidine, Molecular docking, Antitubercular Activity.},
        month = {February},
        }

Cite This Article

T, R., & M, S. H., & S, V., & M, B. A. (2025). Design, Molecular Docking, Synthesis and Biological Study of Pyrazole Containing Hydrazinyl Pyrimidine Derivatives with Potent Antitubercular Activity. International Journal of Innovative Research in Technology (IJIRT), 11(9), 1036–1042.

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