Kyle Jennifer E, Aimo Lucila, Bridge Alan J, Clair Geremy, Fedorova Maria, Helms J Bernd, Molenaar Martijn R, Ni Zhixu, Orešič Matej, Slenter Denise, Willighagen Egon, Webb-Robertson Bobbie-Jo M
Biological Sciences Division, Pacific Northwest National Laboratory, Richland, WA, 99352, USA.
Swiss-Prot Group, SIB Swiss Institute of Bioinformatics, 1 rue Michel-Servet, 1211, Geneva 4, Switzerland.
Metabolomics. 2021 Jun 6;17(6):55. doi: 10.1007/s11306-021-01802-6.
Improvements in mass spectrometry (MS) technologies coupled with bioinformatics developments have allowed considerable advancement in the measurement and interpretation of lipidomics data in recent years. Since research areas employing lipidomics are rapidly increasing, there is a great need for bioinformatic tools that capture and utilize the complexity of the data. Currently, the diversity and complexity within the lipidome is often concealed by summing over or averaging individual lipids up to (sub)class-based descriptors, losing valuable information about biological function and interactions with other distinct lipids molecules, proteins and/or metabolites.
To address this gap in knowledge, novel bioinformatics methods are needed to improve identification, quantification, integration and interpretation of lipidomics data. The purpose of this mini-review is to summarize exemplary methods to explore the complexity of the lipidome.
Here we describe six approaches that capture three core focus areas for lipidomics: (1) lipidome annotation including a resolvable database identifier, (2) interpretation via pathway- and enrichment-based methods, and (3) understanding complex interactions to emphasize specific steps in the analytical process and highlight challenges in analyses associated with the complexity of lipidome data.
近年来,质谱(MS)技术的改进以及生物信息学的发展使得脂质组学数据的测量和解读取得了显著进展。由于采用脂质组学的研究领域正在迅速增加,因此迫切需要能够捕捉和利用数据复杂性的生物信息学工具。目前,脂质组内的多样性和复杂性常常通过对单个脂质进行求和或平均,直至基于(亚)类别的描述符来掩盖,从而丢失了有关生物学功能以及与其他不同脂质分子、蛋白质和/或代谢物相互作用的宝贵信息。
为填补这一知识空白,需要新的生物信息学方法来改进脂质组学数据的识别、定量、整合和解读。本综述的目的是总结探索脂质组复杂性的示例性方法。
在此,我们描述了六种方法,这些方法涵盖了脂质组学的三个核心重点领域:(1)脂质组注释,包括可解析的数据库标识符;(2)通过基于途径和富集的方法进行解读;(3)理解复杂的相互作用,以强调分析过程中的特定步骤,并突出与脂质组数据复杂性相关的分析挑战。