Potential Pharmacological Substance Basis Study of Lianxia Xiaopi Granules for the Treatment of Functional Dyspepsia by UPLC-Q-TOF-MS Integrated with Network Pharmacology
SUN Cai-hong1,2,3, TIAN Ye2,3, LI Rui-ming2,3, HUO Zhi-peng2,3,4, YANG Zhi-cheng1,2,3, LIU Yang2,3, HE Yi2,3*
1. School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing 211198, China; 2. Development Center of Modern Chinese Medicine, Research Institute of Tasly Holding Group Co., Ltd., Tianjin 300410, China; 3. State Key Laboratory of Critical Technology in Innovative Chinese Medicine, Tasly Pharmaceutical Group Co., Ltd., Tianjin 300410, China; 4. School of Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Abstract：OBJECTIVE To investigate the potential pharmacological material basis of Lianxia Xiaopi Granules for the treatment of functional dyspepsia based on the prototype components and network pharmacology strategy. METHODS UPLC-Q-TOF-MS combined with Simca-P software was used to qualitatively analyze the prototype components in plasma and urine of rats given Lianxia Xiaopi Granules, and online databases such as TCMSP and OMIM were used to collect compounds and disease targets. After taking the intersection, a protein interaction network was constructed to screen core targets and conduct pathway enrichment. Cytoscape was used to construct an active ingredient-key targets-pathway network, and molecular docking was used to verify the relationship between the top chemical components and targets, to provide a reference for the basic research of the drug effect in the body. RESULTS A total of 46 prototypical components were identified, most of which were flavonoids, followed by alkaloids; 105 disease-compounds targets were found, and 43 core targets were screened out by protein interaction network. The pathway was enriched in cholinergic synapses, PI3K-Akt signaling pathway, insulin secretion, Ca2+ signaling pathway, calcium absorption, bile secretion and other signaling pathways. The results of molecular docking showed that compounds such as flavonoids and alkaloids had good docking activity (average score value >100) with core targets such as ESR1, IL2, AMY1A, ABCB1, VEGFR, ABCG2, NOS3, RELA, and NFκB1. CONCLUSION Hesperidin, naringin, luteolin, liquiritin, baicalin, 6-gingerol, coptisine, epiberberine, berberine, palmatine, etc. in Lianxia Xiaopi Granules may be the potential material basis of the drug effect, which can treat functional dyspepsia by regulating gastrointestinal motility, visceral hypersensitivity, anxiety and depression, digestion, and metabolism.
孙彩虹, 田野, 李瑞明, 霍志鹏, 杨志城, 刘杨, 何毅. 基于UPLC-Q-TOF-MS和网络药理学的连夏消痞颗粒治疗功能性消化不良的潜在药效物质基础研究[J]. 中国药学杂志, 2022, 57(1): 44-51.
SUN Cai-hong, TIAN Ye, LI Rui-ming, HUO Zhi-peng, YANG Zhi-cheng, LIU Yang, HE Yi. Potential Pharmacological Substance Basis Study of Lianxia Xiaopi Granules for the Treatment of Functional Dyspepsia by UPLC-Q-TOF-MS Integrated with Network Pharmacology. Chinese Pharmaceutical Journal, 2022, 57(1): 44-51.
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