Xue Jingwen, Liu Yuntong, Chen Qiushi, Liu Huimin, Zhang Huijing, Wang Bo, Jin Yongri, Li Xuwen, Shi Xiaolei
College of Food Science and Engineering, Jilin University, Changchun 130062, China.
College of Chemistry, Jilin University, Changchun 130012, China.
Int J Mol Sci. 2024 Dec 19;25(24):13587. doi: 10.3390/ijms252413587.
Flavonoids derived from plants in the citrus family can have an alleviating effect on allergic asthma. The aim of this study was to provide insights into the mechanisms by which these compounds exert their effects on allergic asthma by combining theoretical and practical approaches. Aurantii Fructus Immaturus flavonoids (AFIFs) were obtained by solvent extraction and were determined by high performance liquid chromatography (HPLC). In vivo and in vitro experiments combined with network pharmacology, Mendelian randomization (MR) analysis and the AutoDock method were applied to study the mechanism of their effects. The main AFIFs were found to be hesperidin (13.21 mg/g), neohesperidin (287.26 mg/g), naringin (322.56 mg/g), and narirutin (19.35 mg/g). Based on the network pharmacology and MR analysis results, five targets Caspase 3 (CASP3), CyclinD1 (CCND1), Intercellular adhesion molecule (ICAM), erb-b2 receptor tyrosine kinase 2 (ERBB2), and rubisco accumulation factor 1 (RAF1) were selected, and the interactions between the AFIFs and the targets were studied using AutoDock Vina. The results indicated that glycosidic bonds play an important role in the interactions between AFIFs and both ERBB2 and RAF1.
柑橘科植物中的类黄酮对过敏性哮喘具有缓解作用。本研究旨在通过理论与实践相结合的方法，深入了解这些化合物对过敏性哮喘发挥作用的机制。采用溶剂萃取法获得枳壳类黄酮（AFIFs），并通过高效液相色谱法（HPLC）进行测定。运用体内外实验结合网络药理学、孟德尔随机化（MR）分析和AutoDock方法研究其作用机制。结果发现主要的AFIFs为橙皮苷（13.21 mg/g）、新橙皮苷（287.26 mg/g）、柚皮苷（322.56 mg/g）和柚皮芸香苷（19.35 mg/g）。基于网络药理学和MR分析结果，选取了半胱天冬酶3（CASP3）、细胞周期蛋白D1（CCND1）、细胞间黏附分子（ICAM）、erb-b2受体酪氨酸激酶2（ERBB2）和核酮糖-1,5-二磷酸羧化酶积累因子1（RAF1）这五个靶点，使用AutoDock Vina研究AFIFs与这些靶点之间的相互作用。结果表明，糖苷键在AFIFs与ERBB2和RAF1的相互作用中起重要作用。
