Feng Qinqi, Shu Xinyang, Fang Hanyu, Shi Xiaoxi, Zhang Yanling, Zhang Hongchun
Beijing University of Chinese Medicine, Beijing, China.
Department of Traditional Chinese Medicine for Pulmonar y Diseases, National Center for Respirator y Medicine, National Clinical Research Center for Respirator y Diseases, Institute of Respirator y Medicine, Center of Respirator y Medicine, China-Japan Friendship Hospital Chinese Academy of Medical Sciences, Beijing, China.
Food Nutr Res. 2024 Jun 20;68. doi: 10.29219/fnr.v68.10618. eCollection 2024.
(Huajuhong, CGE) is the peel of the unripe fruits of ' (L.) Osbeck, which is commonly used in the clinic for the treatment of cough and indigestion. The pharmacological mechanism of CGE is unclear. In this study, the pharmacological effect of CGE was predicted by System Traditional Chinese Medicine (SYSTCM), which integrated the pharmacological effect prediction approach by artificial intelligence into the systemic traditional Chinese medicine (TCM) platform. The main pharmacological effect of CGE was antiallergy, promoting bile, blood lipid regulation, cardiotonics, diuresis, and antiarrhythmia by prediction of SYSTCM. cell experiments were carried out to identify the antiallergic effect of CGE. Extracts of (ECGE) inhibited lipopolysaccharide-induced cell injury and nitric oxide release in RAW264.7 cells. ECGE and naringin-inhibited immunoglobulin E-induced cell degranulation in RBL-2H3 cells. Target profiling, protein interaction network, and molecular docking of compounds from CGE indicated that mitogen-activated protein kinase 14 (MAPK14) and matrix metalloprotease 9 (MMP9) were key potential targets of CGE with antiallergic activity. This study identified and validated the antiallergic effect of CGE by combining SYSTCM, cell experiments, and virtual screening, which provided a new paradigm and approach for studying the pharmacological effect and mechanism of TCM.
化橘红（Huajuhong，CGE）为芸香科植物化州柚[Citrus grandis (L.) Osbeck]未成熟果实的果皮，临床常用于治疗咳嗽和消化不良。CGE的药理机制尚不清楚。本研究采用中医系统药理学（SYSTCM）预测CGE的药理作用，该方法将人工智能药理效应预测方法集成到中医系统平台中。通过SYSTCM预测，CGE的主要药理作用为抗过敏、利胆、调节血脂、强心、利尿和抗心律失常。进行细胞实验以确定CGE的抗过敏作用。化橘红乙醇提取物（ECGE）抑制脂多糖诱导的RAW264.7细胞损伤和一氧化氮释放。ECGE和柚皮苷抑制免疫球蛋白E诱导的RBL-2H3细胞脱颗粒。对CGE中的化合物进行靶点分析、蛋白质相互作用网络和分子对接表明，丝裂原活化蛋白激酶14（MAPK14）和基质金属蛋白酶9（MMP9）是CGE具有抗过敏活性的关键潜在靶点。本研究通过结合SYSTCM、细胞实验和虚拟筛选，鉴定并验证了CGE的抗过敏作用，为研究中药药理作用及机制提供了新的模式和方法。
