MS-DIAL and MS-FINDER-assisted dereplication of the edible mushroom, Phlebopus beniensis crude extract and fractions: Chemophenetic significance

IF 2 4区生物学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY Biochemical Systematics and Ecology Pub Date : 2025-06-01 Epub Date: 2025-02-07 DOI:10.1016/j.bse.2025.104977

Isabela R. Molina , Jhuly W. Ferreira Lacerda , João P. Ernzen , Lucas Pradi , Geovanna de O. Costa , Carime L. Mansur Pontes , Maria Alice Neves , Mario Steindel , Xavier Siwe-Noundou , Derek T. Ndinteh , Louis P. Sandjo

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Abstract

The edible mushroom Phlebopus beniensis, was extracted, fractionated and the chemical profiles of the obtained fractions were established by dereplication of UPLC-ESI-QTOF-MS data assisted by MS-Dial and MS-Finder databases. Among the 35 detected secondary metabolites, sphingolipids, glycerophospolipids, a cerebroside, an iridoid, a lipophosphocholine, tetronic acid derivatives, and a pyrrole alkaloid were identified as main components. The identified lipids derivatives and part of these tetronic acids are herein reported for the first time in P. beniensis. The crude extract and fractions were evaluated for their inhibitory effect against the Trypanosoma cruzi enzyme, trypanothione reductase (TryTR). The n-butanol fraction showed inhibitory percentages of 99.0 ± 1.8 % (corresponding to the IC₅₀ value of 23.2 ± 7.3 μg/mL) and was more active than the crude extract (inhibitory effect of 4.8 ± 3.3%). The chemophenetic significances of the identified compounds were discussed.

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MS-DIAL和ms - finder辅助下食用菌贝氏杆菌粗提物和组分的分离：化学效应意义

采用UPLC-ESI-QTOF-MS数据，在MS-Dial和MS-Finder数据库的辅助下进行重复分析，建立了食用菌Phlebopus beniensis的化学图谱。在35种次生代谢产物中，鞘脂、甘油磷脂、脑苷、环烯醚酮、脂磷胆碱、四酸衍生物和吡咯生物碱是主要成分。所确定的脂类衍生品和这些tetronic酸是这里的一部分在p . beniensis首次报道。研究了粗提物和馏分对克氏锥虫酶、锥虫硫酮还原酶（TryTR）的抑制作用。正丁醇部分的抑制率为99.0±1.8% (IC50值为23.2±7.3 μg/mL)，比粗提物（抑制率为4.8±3.3%）更有活性。讨论了所鉴定化合物的化学化学意义。

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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.