Figure 2
From: Phytochemical mediated modulation of COX-3 and NFκB for the management and treatment of arthritis
The structural stability of the protein–ligand complex monitored by the molecular dynamic simulations (30-ns). (a) COX-3 model bound to quercetin, ellagic acid, and zerumbone. Ellagic acid exhibits a greater RMSD value as the time progresses, while quercetin and zerumbone exhibit an almost constant stability pattern after 12 ns, except at approximately 22 ns. (b) TNF-α bound to quercetin, ellagic acid, and zerumbone. Quercetin exhibits a greater RMSD value as time progresses, while ellagic acid and zerumbone exhibit an almost constant stability pattern after 12 ns. (c) Interleukin (IL-10) bound to quercetin, ellagic acid, and zerumbone. Quercetin, ellagic acid and zerumbone exhibit almost constant RMSD values as time progresses. All the compounds (except ellagic acid) showed optimal stability at 27–30 ns.
