Discovery of potent ATP citrate lyase inhibitors from Tripterygium wilfordii Hook. f.: a structural and bioactivity analysis

IF 3.4 2区生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Phytochemistry Pub Date : 2025-06-13 DOI:10.1016/j.phytochem.2025.114581

Boquan Qu , Jixia Wang , Yan Li , Tao Hou , Xiaonian Li , Dian Liu , Yang Han , Zhimou Guo , Fengbin Luo , Feifei Huang , Yunhui Zhu , Jiatao Feng , Qing Xu , Yanfang Liu , Xinmiao Liang

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引用次数: 0

Abstract

Seven undescribed compounds (1–2, 7, 14 and 25–27), and twenty-three known compounds (3–6, 8–13, 15–24 and 28–30) were isolated using multidimensional preparative chromatography from supercritical fluid extracts of Tripterygium wilfordii Hook. f., comprising two sesquiterpenoid macrolide alkaloids, two diterpenoids, and three triterpenoid compounds. Their structures were elucidated using a comprehensive analysis of NMR spectroscopic data and by comparing the experimental and calculated ECD data. Furthermore, the absolute stereochemistry of compound 2 was unambiguously confirmed by single-crystal X-ray diffraction analysis. The inhibitory activities of the isolated compounds on ATP citrate lyase were systematically evaluated. Compounds 19, 24, 25, 26 and 28 exhibited notable inhibitory effects, with compound 19 displaying an IC₅₀ value of 0.44 ± 0.04 μM.

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从雷公藤中发现有效的ATP柠檬酸裂解酶抑制剂。F .结构和生物活性分析。

从雷公藤超临界萃取液中分离得到7个未描述的化合物（1- 2,7,14和25-27）和23个已知的化合物（3- 6,8 - 13,15 -24和28-30）。F .含有两种倍半萜大环内酯生物碱，两种二萜和三种三萜化合物。通过对核磁共振光谱数据的综合分析以及对实验和计算ECD数据的比较，阐明了它们的结构。此外，化合物2的绝对立体化学性质得到了单晶x射线衍射分析的明确证实。系统评价了分离得到的化合物对ATP柠檬酸裂解酶的抑制活性。化合物19、24、25、26和28表现出明显的抑制作用，其中化合物19的IC50值为0.44±0.04 μM。

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来源期刊

Phytochemistry 生物-植物科学

CiteScore

6.40

自引率

7.90%

发文量

443

审稿时长

39 days

期刊介绍： Phytochemistry is a leading international journal publishing studies of plant chemistry, biochemistry, molecular biology and genetics, structure and bioactivities of phytochemicals, including ''-omics'' and bioinformatics/computational biology approaches. Phytochemistry is a primary source for papers dealing with phytochemicals, especially reports concerning their biosynthesis, regulation, and biological properties both in planta and as bioactive principles. Articles are published online as soon as possible as Articles-in-Press and in 12 volumes per year. Occasional topic-focussed special issues are published composed of papers from invited authors.