Discovery of fernane-type triterpenoids from Diaporthe discoidispora using genome mining and HSQC-based SMART technology

IF 4 2区医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE

Chinese Journal of Natural Medicines Pub Date : 2025-03-01 DOI:10.1016/S1875-5364(25)60837-5

Yajing Wang , Yongfu Li , Yan Dong , Chunyan Yu , Chengwei Liu , Chang Li , Yi Sun , Yuehu Pei

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引用次数: 0

Abstract

In this study, we employed a combination of genome mining and heteronuclear single quantum coherence (HSQC)-based small molecule accurate recognition technology (SMART) technology to search for fernane-type triterpenoids. Initially, potential endophytic fungi were identified through genome mining. Subsequently, fine fractions containing various fernane-type triterpenoids were selected using HSQC data collection and SMART prediction. These triterpenoids were then obtained through targeted isolation and identification. Finally, their antifungal activity was evaluated. As a result, three fernane-type triterpenoids, including two novel compounds, along with two new sesquiterpenes and four known compounds were isolated from one potential strain, Diaporthe discoidispora. Their structures were elucidated through analysis of high-resolution electrospray ionization mass spectrometry (HR-ESI-MS) and nuclear magnetic resonance (NMR) spectroscopic data. The absolute configurations were determined using single-crystal X-ray diffraction analysis and electron capture detector (ECD) analysis. Compound 3 exhibited moderate antifungal activity against Candida albicans CMCC 98001 and Aspergillus niger.

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利用基因组挖掘和基于hsqc的SMART技术从盘状蝶孢中发现菲南型三萜

本研究采用基因组挖掘与基于异核单量子相干性（HSQC）的小分子精确识别技术（SMART）相结合的方法，寻找fnas型三萜。最初，通过基因组挖掘鉴定了潜在的内生真菌。随后，通过HSQC数据采集和SMART预测，筛选出含有各种芳烷型三萜的精细馏分。这些三萜类化合物通过有针对性的分离鉴定得到。最后对其抗真菌活性进行评价。结果，从一种潜在菌株Diaporthe disdiispora中分离出三种菲南型三萜，包括两种新化合物、两种新的倍半萜和四种已知化合物。通过高分辨率电喷雾电离质谱（HR-ESI-MS）和核磁共振（NMR）光谱数据分析，对它们的结构进行了鉴定。用单晶x射线衍射分析和电子捕获检测器（ECD）分析确定了绝对构型。化合物3对白色念珠菌cmcc98001和黑曲霉表现出中等的抗真菌活性。

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来源期刊

Chinese Journal of Natural Medicines INTEGRATIVE & COMPLEMENTARY MEDICINE-PHARMACOLOGY & PHARMACY

CiteScore

7.50

自引率

4.30%

发文量

2235

期刊介绍： The Chinese Journal of Natural Medicines (CJNM), founded and sponsored in May 2003 by China Pharmaceutical University and the Chinese Pharmaceutical Association, is devoted to communication among pharmaceutical and medical scientists interested in the advancement of Traditional Chinese Medicines (TCM). CJNM publishes articles relating to a broad spectrum of bioactive natural products, leading compounds and medicines derived from Traditional Chinese Medicines (TCM). Topics covered by the journal are: Resources of Traditional Chinese Medicines; Interaction and complexity of prescription; Natural Products Chemistry (including structure modification, semi-and total synthesis, bio-transformation); Pharmacology of natural products and prescription (including pharmacokinetics and toxicology); Pharmaceutics and Analytical Methods of natural products.