海源真菌曲霉HL24的化学成分及其细胞毒活性

IF 2.1 3区化学 Q2 CHEMISTRY, ORGANIC

Tetrahedron Pub Date : 2025-06-07 DOI:10.1016/j.tet.2025.134778

Ninh Thi Ngoc, Le Thi Vien, Tran Thi Hong Hanh, Nguyen Xuan Cuong, Nguyen Hoai Nam, Chau Van Minh

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引用次数: 0

摘要

从越南下龙湾采集的一种未知珊瑚中分离得到了3个新化合物，aspergienone(1)、carbonarone A1(2)和pestalamide B1(3)，以及5个已知化合物。通过对它们的1D， 2D NMR和HRMS数据以及量子化学计算的广泛分析，阐明了它们的结构。通过比较实验和计算的ECD光谱和比旋光度值，确定了1和3的绝对构型。所有化合物均检测了对人肺（A549）、肝（HepG2）和结直肠癌（HT-29）细胞系的细胞毒活性。其中8种化合物对HT-29细胞具有细胞毒性，IC50值为90.26±7.67 μM。此外，采用对接方法研究了配体与VEGFR2的两个靶蛋白4ASD和2OH4的相互作用。结果与实验细胞毒性数据一致。

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Chemical constituents of a marine-derived fungus Aspergillus sp. HL24 and their cytotoxic activity

Three new compounds, aspergienone (1), carbonarone A₁ (2) and pestalamide B₁ (3), along with five known compounds, were obtained from a marine-derived fungus Aspergillus sp. HL24, isolated from an unidentified coral collected in Halong Bay, Vietnam. Their structures were elucidated by extensive analysis of their 1D, 2D NMR and HRMS data as well as quantum chemical calculations. The absolute configurations of 1 and 3 were determined by comparing experimental and calculated ECD spectra and specific optical rotation values. All compounds were tested for cytotoxic activity against human lung (A549), liver (HepG2), and colorectal (HT-29) cancer cell lines. Among the tested compounds, only 8 exhibited cytotoxicity against HT-29 cells, with an IC₅₀ value of 90.26 ± 7.67 μM. In addition, docking methods were used to study ligand interactions with the two target proteins 4ASD and 2OH4, which belong to VEGFR2. Results aligned with the experimental cytotoxicity data.

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来源期刊

Tetrahedron 化学-有机化学

CiteScore

3.90

自引率

4.80%

发文量

439

审稿时长

34 days

期刊介绍： Tetrahedron publishes full accounts of research having outstanding significance in the broad field of organic chemistry and its related disciplines, such as organic materials and bio-organic chemistry. Regular papers in Tetrahedron are expected to represent detailed accounts of an original study having substantially greater scope and details than that found in a communication, as published in Tetrahedron Letters. Tetrahedron also publishes thematic collections of papers as special issues and ''Reports'', commissioned in-depth reviews providing a comprehensive overview of a research area.