Phenolic Compounds from Houpoea officinalis Flowers: Optimization Extraction, Phenolic Profiling, and Exploration of Potential Antioxidant Mechanisms Based on Network Pharmacology and Molecular Docking

The Houpoea officinalis flower (HOF) represents an underutilized sustainable bio-resource. This study systematically evaluated its potential using an ethanol-based green extraction process optimized by Response Surface Methodology, with the optimal conditions consisting of approximately 50% ethanol, a solvent-to-solid ratio of 54 mL/g, and an extraction time of 31 min. Chemical profiling across four developmental stages—S1 (Bud), S2 (Bud swelling), S3 (Initial flowering), and S4 (Full bloom)—suggested magnolol and honokiol as the major phenolic compounds, showing a trend of decline during early development followed by an increase at the S4 stage. A significant positive correlation was observed between total phenolic content and antioxidant activity, and the S1 stage extract displayed the strongest antioxidant capacity in multiple in vitro assays. Network pharmacology analysis predicted oxidative stress-related targets and pathways, with TP53, AKT1, IL6, BCL2, and CASP3 recognized as key hub genes. Molecular docking further predicted favorable binding interactions between major HOF phenolics and these target proteins. Collectively, these findings reveal the multi-target antioxidant potential of HOF and provide evidence supporting its potential role in antioxidant-related traditional applications based on predicted mechanisms. Moreover, HOF, particularly at the S1 developmental stage, shows promise as a sustainable source of natural antioxidants and functional ingredients, promoting the high-value utilization of agricultural by-products.