Quantitative Analysis and Network Pharmacology-Based Profiling of Isolated Metabolites from Swertia purpurascens...

Swertia purpurascens is an important ethno-medicinal herb used for treating fever and colds. Despite its significance, the phytochemical profile of this species remains unexplored. This study aims to conduct a phytochemical investigation, develop a green and reliable analytical method assessing 11 specialized metabolites of S. purpurascens, and identify their suitable biological targets via network pharmacology. Among isolated metabolites, 3-hydroxybenzyl-β-d-glucopyranoside (1) has been reported for the first time from the Swertia genus, whereas compounds gentiopicroside (2), 1-hydroxy-3,5-dimethoxyxanthone (5), and methylswertianin (6) have been isolated for the first time from S. purpurascens. The developed method showed good linearity, sensitivity, precision, accuracy, and a positive green analytical profile. Results revealed that the stem part was the major source of metabolites (Yield: 125.70 ± 1.79 mg/g), compared with the other analyzed parts (flowers, leaves, and roots). Compounds 2 (0.72%-6.94%), 9 (0.08%-5.61%), and 1 (0.07%-2.71%) were quantified as the major compounds among different plant parts. Furthermore, network pharmacology analysis predicted the potential therapeutic relevance of these compounds with suggested pathways related to diabetes and cancer diseases. This study represents the first attempt to simultaneously quantify 11 specialized metabolites of S. purpurascens and to perform a network pharmacology-based analysis, thereby enriching its phytochemical understanding.