7,3',4'-Tri-O-methylluteolin (5-Hydroxy-3',4',7-trimethoxyflavone) has anti-inflammatory, antibacterial and antifungal activities, it also shows moderate antitrypanosomal activity with MIC value of 19.0 ug/ml

5-hydroxy-3?2,4?2,7-trimethoxyflavone significantly inhibited nitric oxide production and demonstrated slight reduction in prostaglandin-E2 level at tested concentrations. The production of pro-inflammatory cytokines, such as TNF-α±, IL-6, and IL-1β, were obviously reduced by 5-Hydroxy-3',4',7-trimethoxyflavone in a concentration-dependent manner. Moreover, 5-Hydroxy-3',4',7-trimethoxyflavone significantly induced reduction in the mRNA expressions of inducible nitric oxide synthase and cyclooxygenase-2, representing that inhibition occurs at the transcriptional level. In addition, we performed molecular docking and molecular dynamic simulations to study the interaction of 5-Hydroxy-3',4',7-trimethoxyflavone with inflammatory mediators such as inducible nitric oxide synthase and cyclooxygenase-2. Docking study showed its hydrogen bond interactions with key residues in the active site of inducible nitric oxide synthase and cyclooxygenase-2, enlightening its possible binding mode at the molecular level. The results of molecular dynamic simulations showed the stability of complexes and their interactions[1]