New Non-Carboxylic Acid Chalcones as Anti-Inflammatory Agents: Molecular Docking, Synthesis and Admet Studies

Chalcones in combination with heterocyclic moieties have been reported to exhibit diverse biological activities. The present study was aimed to synthesize novel chalcones bearing pyrazoline moiety and Michael adducts. All the synthesized compounds were characterized by various spectral techniques, and screened for their anti-inflammatory potential. Most of the synthesized compounds exhibited good to moderate activity. The results of the experiment were statistically processed using GraphPad Prism 9.0. The compounds were also docked to get an insight of the binding interaction pattern with the active site of the target protein, and the results were found to be in consonance with the experimental findings. In-silico ADMET prediction was carried out for the title compounds. The study concludes that the synthesized compounds exhibit potential in supressing inflammation, and therefore can be considered for designing more such compounds as anti-inflammatory agents. Also, since the synthesized title compounds are non-carboxylic analogs, they may be considered as non-ulcerogenic, safe and effective anti-inflammatory agents.