Synthesis, Spectral Characterization, In Vitro and In Silico Studies of Pyridinyl Pyrazole Carboxamide Derivatives

Abstract— Objective: In pharmaceutical research, the development of medications based on small molecules is a particularly attractive area of study. This work aimed to synthesize and evaluate a new series of compounds with potential anti-inflammatory and antidiabetic activity. Methods: A series of small compounds containing phenyl, pyrazole, and pyridine moieties were synthesized and thoroughly characterized using mass spectrometry, FT-IR, NMR, and UV-visible spectroscopy. The compounds were subjected to in vitro investigations to assess their biological properties. Results and Discussion: The obtained results highlighted the compounds’ potential biological activity and encouraged further research, including molecular docking studies. Density Functional Theory (DFT) analysis was employed to provide a detailed explanation of the compounds’ reactivity and interactions with enzymes, offering insights into their mechanism of action. Conclusions: The therapeutic potential of the synthesized compounds against inflammation and diabetes was demonstrated using a combination of in vitro and in silico analyses, supporting their further development as drug candidates.