软珊瑚附生真菌Aspergillus sp. egf15 -0-3的苯甲醛新衍生物。

IF 2.5 3区化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Chemistry & Biodiversity Pub Date : 2025-02-22 DOI:10.1002/cbdv.202500124

Ze-Kun Zhang, Ze-Jun Li, Li-Shuang Guo, Xue-Wei Duan, Bing-Bing Liu, Lin-Kun An, Xi-Xin He, Cui-Xian Zhang

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引用次数: 0

摘要

从软珊瑚相关附生真菌Aspergillus sp. EGF 15-0-3中分离出两个新的苯甲醛衍生物aspergitone A(1)和B(2)，以及8个已知的类似物3-10。它们的结构通过1D和2D核磁共振波谱和HRESIMS进行了鉴定，而1的绝对构型通过实验和计算ECD分析确定。通过对抗肿瘤靶点酪氨酸- dna磷酸二酯酶1和2 （TDP1和TDP2）的分子对接和活性测定，发现化合物7对TDP1和TDP2具有潜在的双重抑制作用，而化合物5对TDP1的抑制作用最强。

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New Benzaldehyde Derivatives From the Soft Coral–Associated Epiphytic Fungus Aspergillus Sp. EGF 15-0-3

Two new benzaldehyde derivatives, aspergitones A (1) and B (2), along with seven known analogues 3–9, were isolated from the soft coral–associated epiphytic fungus Aspergillus sp. EGF 15-0-3. Their structures were elucidated using 1D and 2D nuclear magnetic resonance (NMR) spectroscopy and high-resolution electrospray ionization mass spectrometry (HRESIMS), whereas the absolute configuration of 1 was determined through the experimental and computational ECD analysis. On the basis of the molecular docking and activity assays against the antitumor targets tyrosyl-DNA phosphodiesterases 1 and 2 (TDP1 and TDP2), compound 7 was found to be a potential dual inhibitor against TDP1 and TDP2, whereas 5 showed the strongest inhibition against TDP1.

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来源期刊

Chemistry & Biodiversity 环境科学-化学综合

CiteScore

3.40

自引率

10.30%

发文量

475

审稿时长

2.6 months

期刊介绍： Chemistry & Biodiversity serves as a high-quality publishing forum covering a wide range of biorelevant topics for a truly international audience. This journal publishes both field-specific and interdisciplinary contributions on all aspects of biologically relevant chemistry research in the form of full-length original papers, short communications, invited reviews, and commentaries. It covers all research fields straddling the border between the chemical and biological sciences, with the ultimate goal of broadening our understanding of how nature works at a molecular level. Since 2017, Chemistry & Biodiversity is published in an online-only format.