The present study reports the design, synthesis, molecular docking, characterization, and in vivo anti-inflammatory evaluation of benzimidazole and isoxazole-based heterocyclic derivatives. A series of compounds was synthesized through optimized reaction schemes and structurally confirmed using IR, NMR, and mass spectrometry. Molecular docking studies against phospholipase A2 (PDB ID: 1Q7A) revealed that several derivatives represented strong binding affinities, surpassing the reference drug (Diclofenac). Among all screened molecules, the six compounds (MB3, FB5, BT4, CD4, CD16, and CD22) demonstrated the most favourable interaction profiles, supported by multiple hydrogen-bond and hydrophobic interactions within the active site. The in-vivo anti-inflammatory activity was assessed using the carrageenan-induced paw edema model in albino rats. Compounds FB5 and CD16 exhibited the highest percentage inhibition of edema (27.01% and 25.45% at 5 hours), closely approaching the standard drug (diclofenac-30.49%). Moderate activity was observed for MB3, BT4, CD4 and CD22. The histopathological analysis further confirmed a substantial reduction in inflammatory cell infiltration in treated groups...
Keywords: Benzimidazole derivatives, isoxazole derivatives, molecular docking, anti-inflammatory activity, carrageenan-induced paw edema
How to cite this article: Parveen S, Pande MS, Ingale SJ., Synthesis, Characterization, and In-Vivo Anti-Inflammatory Assessment of Novel Heterocyclic Derivatives....Int J Drug Deliv Technol. 2026;16(1s): 462-493; DOI: 10.25258/ijddt.16. 462-493