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Vol. 37 No. 3 (2025): Vol 37 Issue 3, 2025

Copyright (c) 2025 Sai Prasad D. Phayde, C.B. Vagish

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Synthesis and Biological Assessment of Novel Pyridine-Pyrazole Hybrids: Molecular Docking and Antioxidant Studies

https://doi.org/10.14233/ajchem.2025.32701
Sai Prasad D. Phayde
Department of Physical and Chemical Sciences, Sri Sathya Sai University for Human Excellence, Kalaburagi-585313, India
C.B. Vagish
Department of Physical and Chemical Sciences, Sri Sathya Sai University for Human Excellence, Kalaburagi-585313, India
https://orcid.org/0000-0002-4169-7962

Corresponding Author(s) : C.B. Vagish

vagish.cb@sssuhe.ac.in

Asian Journal of Chemistry, Vol. 37 No. 3 (2025): Vol 37 Issue 3, 2025

Abstract

In this study, pyridine-appended pyrazole derivatives were synthesized through chalcone formation using 3-acetylpyridine and 3-pyridine-carboxaldehyde, followed by reaction with substituted phenyl hydrazines under mild conditions. The methodology offered good yields and easy purification via column chromatography. The structural characterization was performed using 1H NMR, 13C NMR and mass spectrometry. Density functional theory (DFT) studies at the B3LYP/6-31G level provided insights into electronic properties, including HOMO-LUMO energy gaps and molecular electrostatic potential (MEP), predicting the biological interactions. Biological evaluation using the DPPH radical scavenging assay confirmed significant antioxidant activity, highlighting the potential of these compounds in the medicinal chemistry.

Keywords

Pyrazole-pyridine hybrids Chalcone Molecular docking studies Antioxidant assay
Phayde, S. P. D., & Vagish, C. (2025). Synthesis and Biological Assessment of Novel Pyridine-Pyrazole Hybrids: Molecular Docking and Antioxidant Studies. Asian Journal of Chemistry, 37(3), 561–567. https://doi.org/10.14233/ajchem.2025.32701
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