Spatholobus suberectus is a medicinal and edible plant widely recognized for its pharmacological potential. Although its stems have been extensively studied and utilized, its leaves are often discarded as agricultural waste, leading to significant resource underutilization. To promote the sustainable valorization of these leaves, this study aimed to provide a predictive evaluation of their bioactive constituents and pharmacological potential. Leaves of S. suberectus were collected at six growth stages (January, March, May, July, September and November). A total of 6750 metabolites were identified, primarily comprising amino acids and derivatives (26.74%), organic acids (15.33%), and bioactive secondary metabolites, including flavonoids and phenolic acids (27.98%). Metabolic profiling revealed clear seasonal patterns, allowing the classification of the six harvest months into three distinct stages: January and March (G1), May and September (G2), and July and November (G3). Among these, the G1 stage was notably enriched in defensive secondary metabolites, particularly flavonoids and phenolic acids. To predict the bioactivity of these metabolites and elucidate potential mechanisms of action, network pharmacology and molecular docking analyses were employed. Network pharmacology and molecular docking were employed to predict anti-inflammatory mechanisms. From the metabolome, 83 potential bioactive compounds were screened, interacting with 306 targets. Network analysis identified 60 core anti-inflammatory targets (e.g., TNF, AKT1, PTGS2, STAT3) that were significantly enriched in MAPK and PI3K-Akt pathways. Molecular docking revealed strong binding affinities, with pelargonidin showing the highest affinity for PTGS2 (−11.72 kcal/mol). Candidate metabolites peaked in January, and extracts from this period exhibited notable COX-2 inhibitory activity (IC50 = 16.41 μg/mL). This research provides essential chemical characterization and preliminary bioactivity evidence to support the valorization of S. suberectus leaves and identifies January as the optimal harvest time to maximize their bioactive potential.
Luo et al. (Fri,) studied this question.