ABSTRACT

In pursuit of safer and more effective analgesic and anti-inflammatory drugs, we designed curcumin-based analogues and evaluated their binding interactions using molecular docking. Eight analogues (1A–8A) were assessed against two therapeutic targets: cyclooxygenase-2 (COX-2, PDB ID: 4PH9) and purinergic receptor P2X2 (PDB ID: 5SVL). Docking was performed using AutoDock Vina, with standard drugs ibuprofen and curcumin serving as reference ligands. Compounds 1A, 5A, and 7A demonstrated superior binding affinities and favorable interaction profiles compared to the standard drugs. These findings highlight the potential of these analogues for dual-target inhibition and warrant further experimental validation. Keywords: In silico, Analgesic, Anti-inflammatory, PDB, Docking
Publication date: 01/05/2026

https://www.ijbpas.com/pdf/2026/May/MS_IJBPAS_2026_10178.pdf

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https://doi.org/10.31032/IJBPAS/2026/15.5.10178