Meglumine-catalyzed eco-friendly synthesis of pyrazolo[3,4-b]pyridines: exploring their potential against inflammation and arthritis using in silico studies

The quest for sustainable and eco-friendly chemical processes has driven the exploration of greener synthetic methodologies for the development of biologically potent scaffolds. In this study, we aimed to design an efficient and sustainable synthetic route for the generation of pyrazolo[3,4-b]pyridine derivatives, which are recognized for their significant pharmacological properties. Meglumine as a low-cost, reusable, and eco-benign catalyst was used in a one-pot, three-component reaction using Meldrum’s acid, substituted aldehydes, and 3-methyl-1H-pyrazol-5-amine at room temperature. This method afforded 15 derivatives, including six new compounds, with excellent yields (82–96%) within just 5–25 min. The synthesized compounds were well corroborated using spectral analysis. The method entails several benefits including the use of an eco-friendly catalyst, simple separation, and reusability over five cycles, gram-scale synthesis, and favorable green chemistry metrics. Additionally, the in silico studies demonstrated the anti-inflammatory and anti-arthritic potential of the synthesized compounds. The compounds were docked within the binding site of the selected PDBs, 3G3N (cAMP phosphodiesterase inhibition) and 7F2W (Gout therapy). The present work introduces these compounds as future anti-inflammatory and anti-arthritic agents.