Álvarez-Caballero Juan Manuel, Coy-Barrera Ericsson
Grupo de Química y Bioprospección de Productos Naturales, Universidad del Magdalena, Santa Marta 470004, Colombia.
Bioorganic Chemistry Laboratory, Facultad de Ciencias Básicas y Aplicadas, Universidad Militar Nueva Granada, Cajicá 250247, Colombia.
Plants (Basel). 2019 Nov 29;8(12):555. doi: 10.3390/plants8120555.
Plant materials (i.e., leaves, fruits, and seeds) from 40 trees of A. Juss. were collected from six different locations across the Colombian Caribbean coast. Eighty-four ethanolic extracts were prepared and the total limonoid contents (TLiC) and the antifungal activity against conidia were measured. Their chemical profiles were also recorded via liquid chromatography-electrospray ionization interface-mass spectrometry (LC-ESI-MS) analysis and the top-ranked features were then annotated after supervised multivariate statistics. Inter-location chemical variability within sample set was assessed by sparse partial least squares discriminant analysis (sPLS-DA) and the chemical profiles and biological activity datasets were integrated through single- orthogonal partial least squares (OPLS) to identify antifungal bioactives in test extracts. The TLiC and antifungal activity (IC values) of the -derived extracts were found to be ranging from 4.5 to 48.5 mg limonin equivalent per g dry extract and 0.08-44.8 μg/mL, respectively. The presence/abundance of particular limonoids between collected samples influenced the variability among locations. In addition, the integration of chemical and antifungal activity datasets showed five features as markers probably contributing to the bioactivity, annotated as compounds with an azadirone-like moiety. To validate the information provided by the single- OPLS model, a high performance liquid chromatography (HPLC)-based microfractionation was then carried out on an active extract. The combined plot of chromatographic profile and microfraction bioactivity also evidenced five signals possessing the highest antifungal activity. The most active limonoid was identified as nimonol . Hence, this untargeted metabolite profiling was considered as a convenient tool for identifying metabolites as inter-location markers as well as antifungals against .
从哥伦比亚加勒比海岸的六个不同地点采集了40棵番荔枝科植物的植物材料（即叶子、果实和种子）。制备了84种乙醇提取物，并测定了总柠檬苦素含量（TLiC）和对分生孢子的抗真菌活性。还通过液相色谱 - 电喷雾电离接口 - 质谱（LC - ESI - MS）分析记录了它们的化学图谱，然后在有监督的多变量统计后对排名靠前的特征进行注释。通过稀疏偏最小二乘判别分析（sPLS - DA）评估样本集内不同地点间的化学变异性，并通过单正交偏最小二乘法（OPLS）整合化学图谱和生物活性数据集，以鉴定测试提取物中的抗真菌生物活性成分。发现源自该提取物的TLiC和抗真菌活性（IC值）分别为每克干提取物4.5至48.5毫克柠檬苦素当量和0.08 - 44.8微克/毫升。收集的样品之间特定柠檬苦素的存在/丰度影响了不同地点之间的变异性。此外，化学和抗真菌活性数据集的整合显示有五个特征作为可能促成生物活性的标志物，注释为具有类似印苦楝酮部分的化合物。为了验证单OPLS模型提供的信息，然后对一种活性提取物进行了基于高效液相色谱（HPLC）的微分级分离。色谱图谱和微分级生物活性的组合图也证明了五个具有最高抗真菌活性的信号。最具活性的柠檬苦素被鉴定为尼蒙醇。因此，这种非靶向代谢物谱分析被认为是一种方便的工具，可用于鉴定作为不同地点间标志物的代谢物以及针对[具体真菌名称未给出]的抗真菌剂。
