Evaluation of Flavonoid Components in Chinese Olive by Integrated Use of Metabolomics and Network Pharmacology

Abstract

Objective: To explore the potential biological activity of flavonoid components in Chinese olive (Canarium album Raeusch.), and the differences in flavonoid components among different germplasm resources of Chinese olive. Methods: The bioactive flavonoid components were identified using network pharmacology and molecular docking analysis, and the accumulation levels of flavonoid components in the germplasm resources were studied by metabolomics. Results: A total of 44 flavonoid components were identified, and 18 potential bioactive flavonoids and 180 targets for them were selected through the TCMSP database, drug-likeness and oral bioavailability. Luteolin, quercetin, catechin and epicatechin were found to be important components that could potentially affect the pharmacological activity of Chinese olive. The 35 key targets identified based on the connectivity between flavonoid components and their targets were enriched in 348 Gene Ontology (GO) terms and 136 Kyoto Encyclopedia of Genes and Genomes (KEGG) signal pathways, involving pharmacological activities such as anticancer, antiviral, antibacterial, and anti-inflammatory function, blood glucose regulation, and liver protection. Through molecular docking and visual analysis, stable combinations between the selected bioactive flavonoid components of Chinese olive and the key targets were found. Conclusion: The integration of metabolomics and network pharmacology can provide a scientific basis for exploring the medicinal value of Chinese olive. Flavonoids of Chinese olive exert various pharmacological activities through a multi-component, multi-target, and multi-pathway mechanism.

Keywords

• chinese olive; germplasm resource; metabolomics; network pharmacology; flavonoids