Binding Model of Fisetin and Human c-Jun NH2-Terminal Kinase 1 and Its Anti-inflammatory Activity

Department of Chemistry, Konkuk University, Seoul 143-701, KoreaReceived June 3, 2013, Accepted June 8, 2013Fisetin is a naturally occurring flavonoid with some anti-cancer and anti-inflammation capabilities. In thisstudy, we perform docking studies between human c-Jun N-terminal kinase 1 (JNK 1) and fisetin and proposeda binding model of fisetin and JNK 1, in which the hydroxyl groups of the B ring and oxygen at the 4-positionof the C ring play key roles in binding interactions with JNK. Fluorescence quenching and saturation-transferdifference (STD) NMR experiments showed that fisetin exhibits good binding affinity to JNK, 1.32 × 10