基于响应面法和网络药理学研究广佛手挥发油的酶提取工艺及抗氧化机制OA

[Objective]To explore the optimal enzyme-assisted steam distillation extraction process for volatile oil from Citrus medica L.var.sar-codactylis Swingle(Guangfoshou),evaluate its antioxidant activity,and investigate the key antioxidant active components and core targets.[Methods]First,single-factor experiments and response surface methodology were used to optimize the enzyme-assisted steam distillation process for extracting volatile oil from Guangfoshou.Then,GC-MS was employed for component detection;DPPH radical scavenging assay and phospho-molybdenum complex method were applied to evaluate antioxidant activity.Finally,network pharmacology and molecular docking technology were used to analyze the key active components and core targets.[Results]The extraction process study showed that the optimal parameters for en-zyme-assisted steam distillation of Guangfoshou volatile oil were:solid-liquid ratio 1 g∶9 mL,enzymatic hydrolysis temperature 49℃,enzyme ad-dition amount 0.92%,and enzymatic hydrolysis time 127 min.Under these conditions,the yield of Guangfoshou volatile oil was 0.3901%.GC-MS detection identified 28 components in the volatile oil,among which D-limonene and γ-terpinene had the highest contents.The volatile oil ob-tained by this extraction method showed good antioxidant activity in both DPPH·radical scavenging capacity test and total antioxidant activity test via phosphomolybdenum complexation.Results from network pharmacology and molecular docking indicated that the core antioxidant active components of Guangfoshou volatile oil included 4-terpineol,neryl acetate,menthone,linalyl isobutyrate,and D-limonene,etc.,while the core targets were STAT3,ESR1,MAPK1,MAPK3,and MAPK14.Molecular docking demonstrated high affinity between the active components and the target proteins.[Conclusion]The Guangfoshou volatile oil obtained under the optimal process conditions has been verified to have high in vitro antioxidant activity.This volatile oil exerts antioxidant effects through a synergistic mechanism involving multiple components,multiple pathways,and multiple targets.This study can provide a research reference for the rational development of Guangfoshou,a medicinal and edible homologous herb.