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基于液相色谱-串联质谱分子网络的牡蛎共生真菌Myceliophthora lutea ML-1发酵液的化学成分分析

Analysis of the chemical constituents in fermentation broth of Myceliophthora lutea ML-1 derived from Concha ostreae based on liquid chromatography tandem mass spectrometry molecular networking

    摘要
  • 摘要:
    目的 基于液相色谱-串联质谱(LC-MS/MS)分子网络技术分析牡蛎共生真菌Myceliophthora lutea(M.lutea)ML-1发酵液的化学成分, 以明确其次生代谢产物谱。
    方法 将M.lutea ML-1使用真菌1号培养基进行发酵，发酵液粗浸膏的LC-MS/MS原始数据经MSconvert软件转换为. mzXML格式文件，再上传至全球天然产物社会分子网络(GNPS)平台构建经典分子网络(CMN), 进行化学成分识别和结构预测。将原始质谱数据经MZmine 2软件预处理后上传至GNPS平台构建特征峰分子网络(FBMN)。将CMN和FBMN分别导入Cytoscape软件进行可视化分析。
    结果 基于CMN, 从M.lutea ML-1发酵液中识别出49个化合物，包括18个脂肪酸类化合物、8个蒽醌类化合物、12个环二肽类化合物和11个其他类化合物，其中可能有2个新二蒽醌类化合物。基于FBMN进行发酵液化学成分的相对定量分析，目前已识别出其中的3个化合物。
    结论 M.lutea ML-1真菌1号培养基发酵液的化学成分丰富，其中不乏极具潜力的活性化合物，可为后续化学成分的导向分离和菌株发酵条件优化提供思路。

     

    Abstract:
    Objective To analyze the chemical constituents in the fermentation broth of the symbiotic fungus Myceliophthora lutea (M.lutea) ML-1 derived from Concha ostreae through liquid chromatography tandem mass spectrometry (LC-MS/MS)-based molecular networking so as to discover the secondary metabolite profile of this strain.
    Methods M.lutea ML-1 was cultured in fungal medium number 1. The LC-MS/MS raw data was converted to. mzXML file by MSconvert software, and then uploaded to Global Natural Products Social Molecular Networking (GNPS) platform to establish the classical molecular networking (CMN) for identification of the chemical constituents and prediction of structure. Moreover, LC-MS/MS raw data were pre-processed by MZmine 2 software, and also uploaded to GNPS to create feature-based molecular networking (FBMN). Finally, CMN and FBMN were imported into Cytoscape software for data visualization.
    Results According to CMN, a total of 49 compounds were identified from the fermentation broth of M.lutea ML-1, including 18 fatty acids, 8 anthraquinones, 12 cyclic dipeptides and 11 other compounds, in which there might be two new anthraquinone compounds. The relative quantitative analysis of chemical composition of fermentation broth based on FBMN had identified 3 compounds.
    Conclusion The fermentation broth of M.lutea ML-1 cultured in fungal medium number 1 is rich in chemical constituents, which contains many highly potential active compounds. The results provide ideas for guided isolation of the chemical constituents and optimization of fermentation conditions for the strain in the future.

     

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