Integrating metabolomics and network pharmacology to evaluate the effectiveness of traditional medicinal parts of Chinese herbal medicine Cassia agnes Brenan

Cassia agnes Brenan, a classic Chinese herbal formula, has been widely used for treating various ailments such as stomach pain, cold, malaria, measles, chicken pox, and constipation. Modern pharmacological studies have shown that different parts of Cassia agnes Brenan have distinct effects. However, there is a lack of literature on the comparative analysis of chemical components across different parts. The aim of this study is to identify the distinct compounds present in Cassia agnes Brenan leaves and fruits and to conduct network pharmacological research on these compounds to identify potential active ingredients. Metabolomics was employed to analyze the chemical composition of various parts of Cassia agnes Brenan. Subsequently, network pharmacological research was conducted to identify potential active compounds. Target prediction and KEGG pathway analysis were performed to analyze the pharmacological effects and mechanisms of Cassia agnes Brenan. Flavonoids were found to be significantly enriched in the leaves compared to the fruits, suggesting that leaves may be the primary medicinal part of Cassia agnes Brenan. Additionally, an effective and rapid method for evaluating the efficacy of traditional medicinal parts of Chinese herbal medicine was established. In this study, we identified potential active compounds in different parts of Cassia agnes Brenan and provided a rapid method for evaluating the efficacy of traditional medicinal parts of Chinese herbal medicine. These findings contribute to the understanding of the pharmacological effects and mechanisms of Cassia agnes Brenan, facilitating further research in this area.