OSMAC-activated and GNPS-guided investigation of alkaloids from an endophytic fungus Aspergillus sp. FH-1 of Valeriana officinalis L.

IF 2.2 4区生物学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY

Biochemical Systematics and Ecology Pub Date : 2026-01-01 Epub Date: 2025-10-15 DOI:10.1016/j.bse.2025.105151

Hao Fan , Pingping Wu , Xin Wang , Yuze Li , Chong Deng , Wei Wang , Xiaomei Song , Xin Zhang , Dongdong Zhang

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引用次数: 0

Abstract

Guided by an integrated OSMAC and GNPS molecular networking strategy, a chemical investigation of the endophytic fungus Aspergillus sp. FH-1, isolated from Valeriana officinalis L., yielded sixteen alkaloids (1–16), including one new compound (1) and 15 known ones (2–16). The structures of all compounds were unambiguously elucidated by comprehensive spectroscopic analyses (including HRESIMS, 1D and 2D NMR) and by comparison with literature data. Notably, compounds 13 and 14 were discovered from a microbial source for the first time. Compounds 2 and 3 were isolated from the genus Aspergillus for the first time, while compounds 4–7, 11, 12, and 15 were reported from this specific fungus for the first time. In bioactivity assays, compounds 1–4, 7, 12, and 14 exhibited significant antifungal activity against the phytopathogen Colletotrichum gloeosporioides, with EC₅₀ values ranging from 28.54 ± 1.34 to 83.74 ± 1.12 μg/mL. Furthermore, the chemotaxonomic significance of these alkaloids within the genus Aspergillus is also discussed.

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osmac激活和gnps引导下对缬草内生真菌Aspergillus sp. FH-1生物碱的研究。

在OSMAC和GNPS分子网络的综合指导下，对从缬草中分离得到的内生真菌Aspergillus sp. FH-1进行了化学分析，得到16种生物碱（1 - 16），其中1种为新化合物(1)，15种为已知化合物（2-16）。所有化合物的结构都通过综合光谱分析（包括hresms， 1D和2D NMR）和文献数据的比较得到了明确的阐明。值得注意的是，化合物13和14是首次从微生物中发现的。其中化合物2、3为首次从该属真菌中分离得到，化合物4、7、11、12、15为首次从该真菌中分离得到。在生物活性测定中，化合物1 ~ 4、7、12和14对植物病原菌炭疽菌（Colletotrichum gloeosporioides）表现出显著的抑制活性，EC50值在28.54±1.34 ~ 83.74±1.12 μg/mL之间。此外，还讨论了这些生物碱在曲霉属中的化学分类意义。

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来源期刊

Biochemical Systematics and Ecology 生物-进化生物学

CiteScore

3.00

自引率

12.50%

发文量

147

审稿时长

43 days

期刊介绍： Biochemical Systematics and Ecology is devoted to the publication of original papers and reviews, both submitted and invited, in two subject areas: I) the application of biochemistry to problems relating to systematic biology of organisms (biochemical systematics); II) the role of biochemistry in interactions between organisms or between an organism and its environment (biochemical ecology). In the Biochemical Systematics subject area, comparative studies of the distribution of (secondary) metabolites within a wider taxon (e.g. genus or family) are welcome. Comparative studies, encompassing multiple accessions of each of the taxa within their distribution are particularly encouraged. Welcome are also studies combining classical chemosystematic studies (such as comparative HPLC-MS or GC-MS investigations) with (macro-) molecular phylogenetic studies. Studies that involve the comparative use of compounds to help differentiate among species such as adulterants or substitutes that illustrate the applied use of chemosystematics are welcome. In contrast, studies solely employing macromolecular phylogenetic techniques (gene sequences, RAPD studies etc.) will be considered out of scope. Discouraged are manuscripts that report known or new compounds from a single source taxon without addressing a systematic hypothesis. Also considered out of scope are studies using outdated and hard to reproduce macromolecular techniques such as RAPDs in combination with standard chemosystematic techniques such as GC-FID and GC-MS.