New Cassane Diterpenoids from the Seed Kernels of Caesalpinia cucullata, Exhibit Anti-inflammatory Effect in vitro by Inhibiting iNOS Enzymatic Activity
作者机构：School of Traditional Chinese Moterio MedicoShenyang Pharmaceutical UniversityShenyangLiaoning 110016China Key Laboratory of Structure-Based Drug Design&Discovery of Ministry of EducationShenyang Pharmoceuticol UniversityShenyangLiaoning 110016China
出 版 物：《Chinese Journal of Chemistry》 (中国化学（英文版）)
年 卷 期：2021年第39卷第6期
页 面：1625-1634页
核心收录：
学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学]
基 金：the National Natural Science Foundation of China(No.31670359) Liao Ning Revitalization Talents Program(No.XLYC 1905019) Natural Science Foundation of Liaoning Province(No.201602691) The authors wish to thank Dr.Jiuzhi Yuan(Shenyang Pharmaceutical University,Shenyang,China)for species identification of the plant materials
主 题：Caesalpinia cucullata Roxb. Cassane diterpenoids Structure elucidation Biological activity iNOS enzyme activity
摘 要：Inflammation is a complex biological response to *** cassane diterpenoids from Caesalpinia genus exhibit significant anti-inflammation *** new cassane diterpenoids(1-8)along with seven known ones(9-15)were obtained from the seed kernels of Caesalpinia cucullata *** is the first report on chemical investigation of the seed kernels of ***,and the cassane diterpenes were found in this plant for the first *** structures were elucidated based on the extensive spectroscopic analyses,and the absolute configurations were identified by ECD calculation and X-ray *** compounds were evaluated for their anti-inflammation activity by inhibiting NO production in LPS-induced RAW 264.7 *** 1-2 and 9-11 exhibited effective inhibitory activity with inhibition rate more than 50%.The iNOS enzyme activity and molecular docking experiments were performed to explore the preliminary ***,a potential anti-inflammatory mechanism revealed that the bioactive cassane inhibited overproduction of NO by targeting key residues in the iNOS active cavity to reduce iNOS enzymatic activation.
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