Zhang Siqin, Lai Xinxing, Wang Xin, Liu Gang, Wang Zhenzhong, Cao Liang, Zhang Xinzhuang, Xiao Wei, Li Shao
Department of Automation, Institute for TCM-X, MOE Key Laboratory of Bioinformatics/Bioinformatics Division, BNRIST, Tsinghua University, Beijing, China.
Institute for Brain Disorders, Dongzhimen Hospital, Beijing University of Chinese Medicine, Beijing, China.
Front Pharmacol. 2021 Mar 3;12:613104. doi: 10.3389/fphar.2021.613104. eCollection 2021.
Guizhi-Fuling capsule (GZFLC), originated from a classical traditional Chinese herbal formula Guizhi-Fuling Wan, has been clinically used for primary dysmenorrhea in China. Nonetheless, the underlying pharmacological mechanisms of GZFLC remain unclear. The integration of computational and experimental methods of network pharmacology might be a promising way to decipher the mechanisms. In this study, the target profiles of 51 representative compounds of GZFLC were first predicted by a high-accuracy algorithm, drugCIPHER-CS, and the network target of GZFLC was identified. Then, potential functional modules of GZFLC on primary dysmenorrhea were investigated using functional enrichment analysis. Potential bioactive compounds were recognized by hierarchical clustering analysis of GZFLC compounds and first-line anti-dysmenorrhea drugs. Furthermore, the potential anti-dysmenorrhea mechanisms of GZFLC were verified through enzyme activity assays and immunofluorescence tests. Moreover, effects of GZFLC on primary dysmenorrhea were evaluated in oxytocin-induced dysmenorrhea murine model. In the network target analysis, GZFLC may act on five functional modules of pain, inflammation, endocrine, blood circulation and energy metabolism. Integrating computational and experimental approaches, we found that GZFLC significantly inhibited the writhing response and reduced the degree of uterine lesions in oxytocin-induced dysmenorrhea murine model. Furthermore, GZFLC may partially alleviate primary dysmenorrhea by inhibiting cyclooxygenase 2 (COX2) and downregulating MAPK signaling pathway. Consequently, GZFLC presented pain relief and sustained benefits for primary dysmenorrhea. This study could provide a scientific approach for deciphering pharmacological mechanisms of herbal formulae through network pharmacology.
桂枝茯苓胶囊(GZFLC)源自经典的中药方剂桂枝茯苓丸,在中国临床上已用于治疗原发性痛经。然而,GZFLC的潜在药理机制仍不清楚。网络药理学的计算方法与实验方法相结合可能是一种解读其机制的有效途径。在本研究中,首先采用高精度算法drugCIPHER-CS预测了GZFLC 51种代表性化合物的靶点谱,并确定了GZFLC的网络靶点。然后,通过功能富集分析研究了GZFLC对原发性痛经的潜在功能模块。通过对GZFLC化合物和一线抗痛经药物进行层次聚类分析,识别出潜在的生物活性化合物。此外,通过酶活性测定和免疫荧光试验验证了GZFLC潜在的抗痛经机制。此外,在缩宫素诱导的痛经小鼠模型中评估了GZFLC对原发性痛经的影响。在网络靶点分析中,GZFLC可能作用于疼痛、炎症、内分泌、血液循环和能量代谢五个功能模块。综合计算和实验方法,我们发现GZFLC在缩宫素诱导的痛经小鼠模型中显著抑制扭体反应并减轻子宫损伤程度。此外,GZFLC可能通过抑制环氧化酶2(COX2)和下调丝裂原活化蛋白激酶(MAPK)信号通路来部分缓解原发性痛经。因此,GZFLC对原发性痛经具有止痛和持续有益的作用。本研究可为通过网络药理学解读中药方剂的药理机制提供科学方法。