In this paper, chemical investigation on the chloroform soluble fraction of seed kernels of Caesalpinia bonduc resulted in the isolation of five new cassane diterpenoids: norcaesalpinin O (1), norcaesalpinin P (2), caesalpinin MQ (3), caesall O/P (4/5) and seven known compounds (6-12). Compounds structures were elucidated by 1H NMR, 13C NMR, 2D NMR, HR-MS and ECD (electronic circular dichroism) spectral analysis. The characters for new compounds with the presence of an aromatized C ring or demethyl group at C-17 position in the structures were found. By means of bioactive screenings, the inhibitory effect on type-4 phosphodiesterase (PDE4, the target protein of asthma disease) and nuclear factor-kappa B (NF-κB) expression were valued. Compound 1 was found to exhibit moderate inhibitory activity on PDE4 and much better binding affinity than other structures by docking studies for interaction analyzing. Compounds 6, 10 and 11 displayed considerable inhibitory strength against NF-κB expression with inhibitory ratio 48.6%, 42.9% and 37.1% at 10 µM, respectively. The isolation of cassane-type diterpenoids with anti-inflammation activity from C. bonduc implied that this plant might be a good source for anti-inflammation agents finding.

中文翻译：

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从Caesalpinia bonduc（Linn。）Roxb的仁中获得新的木薯型二萜。及其对磷酸二酯酶（PDE）和核因子-κB（NF-κB）表达的抑制活性。

在本文中，对Caesalpinia bonduc种子仁的氯仿可溶级分进行化学研究后，分离出了五个新的木薯二萜类化合物：去甲沙门汀O（1），去甲沙门素P（2），去甲沙门汀MQ（3），凯撒O / P（ 4/5）和七个已知化合物（6-12）。通过1 H NMR，13 C NMR，2D NMR，HR-MS和ECD（电子圆二色性）光谱分析来阐明化合物的结构。发现了在结构中的C-17位置存在芳香化的C环或脱甲基的新化合物的特征。通过生物活性筛选，评估了对4型磷酸二酯酶（PDE4，哮喘疾病的靶蛋白）和核因子-κB（NF-κB）表达的抑制作用。通过对接研究进行相互作用分析，发现化合物1对PDE4表现出中等抑制活性，并且比其他结构具有更好的结合亲和力。化合物6、10和11对NF-κB表达表现出相当强的抑制强度，在10 µM时抑制率分别为48.6％，42.9％和37.1％。从邦德梭菌中分离出具有抗炎活性的木薯型二萜类化合物，暗示该植物可能是寻找抗炎剂的良好来源。