Abstract
Metabolic network construction plays a pivotal role in unraveling the regulatory mechanism of biological ac-tivities,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 the 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 with the Kyoto Encyclopedia of Genes and Genomes database.Using a com-bination of gene annotation,reaction classification,structure similarity,and correlations from transcriptome and metabolome analysis,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.
基金项目
highperformance computing platform()
mass spectrometry platform at the National Key Laboratory of.Crop Genetic Improvement at Huazhong Agricultural University()
Young Topnotch Talent Cultivation Program of Hubei Province()
Natural Science Foundation for Distinguished Young Scientists of Hubei Province(2021CFA058)
First-Class Discipline Construction Funds of College of Plant Science and Technology,Huazhong Agricultural University(2023ZKPY005)
NETL
NSTL
万方数据