Design, synthesis, biological evaluation, and molecular docking of chalcone derivatives as anti-inflammatory agents

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• 作者：Jingfen Li^a ; ¹ ; Dong Li^b ; ¹ ; Yiming Xu^b ; Zhenbo Guo^b ; Xu Liu^b ; Hua Yang^b ; Lichuan Wu^b ; ^{wulichuan@126.com} ; Lisheng Wang^b ; ^{w_lsheng@163.com}
• 关键词：Inflammation ; Chalcone ; Derivatives ; Anti-inflammatory activity ; COX-2
• 刊名：Bioorganic & Medicinal Chemistry Letters
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：27
• 期：3
• 页码：602-606
• 全文大小：1058 K
• 卷排序：27

文摘

In this study, two series of 35 new chalcone derivatives containing aryl-piperazine or aryl-sulfonyl-piperazine fragment were synthesized and their structures were characterized by 1H, 13C and ESI-MS. The in vivo and in vitro anti-inflammatory activities of target compounds were evaluated by using classical para-xylene-induced mice ear-swelling model and ELISA assays. Furthermore, docking studies were performed in COX-2 (4PH9). The in vivo anti-inflammatory assays indicated that most of the target compounds showed significant anti-inflammatory activities. Docking results revealed that the anti-inflammatory activities of compounds correlated with their docking results. Especially, compound 6o exhibited the most potent anti-inflammatory activity in vivo with the lowest docking score of −17.4 kcal/mol and could significantly inhibit the release of LPS-induced IL-6 and TNF-α in a dose-dependent manner in vitro.