华中农业大学陈伟研究小组的一项最新研究，报道了基于结构指导的化学修饰和多组学数据构建小麦籽粒的代谢网络。2024年3月6日出版的《遗传学报》发表了这项成果。

在这项研究中，该研究团队开发了一种计算方法，利用基于结构指导的化学修饰和相关化合物的反应模型来构建小麦的代谢网络。与KEGG数据库相比，这种构建形成了一个全面的结构指导网络，包括625种已确定的代谢物和额外的333种假定反应。结合基因注释、反应分类、结构相似性以及转录组和代谢组分析相关性，在该网络中共鉴定出229个与这些反应相关的潜在基因。

为了验证该网络，课题组人员分别通过体外酶学研究和小麦突变体试验，验证了用于合成多酚的羟基肉桂基转移酶(TraesCS3D01G314900)和用于修饰黄酮类化合物的鼠李糖基转移酶(TraesCS2D01G078700)的功能。他们的研究支持结构指导化学修饰作为识别构建代谢网络的因果候选基因的有效工具，并进一步用于代谢组学遗传研究。

据了解，代谢网络的构建在揭示生物活动的调控机制中起着关键作用，尽管它经常被证明是具有挑战性和劳动密集型的，特别是对于非模式生物而言。

附：英文原文

Title: Constructing the metabolic network of wheat kernels based on structure-guided chemical modification and multi-omics data

Author: anonymous

Issue&Volume: 2024/03/06

Abstract: Metabolic network construction plays a pivotal role in unraveling the regulatory mechanism of biological activities, although it often proves to be challenging and labor-intensive, particularly with non-model organisms. In this study, we develop a computational approach that employs reaction models based on structure-guided chemical modification and related compounds to construct a metabolic network in wheat. This construction results in a comprehensive structure-guided network, including 625 identified metabolites and additional 333 putative reactions compared to the KEGG database. Using a combination of gene annotation, reaction classification, structure similarity, and transcriptome and metabolome analysis correlations, a total of 229 potential genes related to these reactions are identified within this network. To validate the network, the functionality of a hydroxycinnamoyltransferase (TraesCS3D01G314900) for the synthesis of polyphenols and a rhamnosyltransferase (TraesCS2D01G078700) for the modification of flavonoids are verified through in vitro enzymatic studies and wheat mutant tests, respectively. Our research thus supports the utility of structure-guided chemical modification as an effective tool in identifying causal candidate genes for constructing metabolic networks and further in metabolomic genetic studies.

DOI: 10.1016/j.jgg.2024.02.008

Source: https://www.sciencedirect.com/science/article/abs/pii/S1673852724000377