摘要
目的基于网络药理学研究方法,探讨二至丸防治骨质疏松(osteoporosis,OP)的物质基础及作用机制。方法采用分子对接软件Autodock 4. 0将二至丸所含成分分子与36个OP相关靶蛋白进行对接,通过Cytoscape3. 6. 0构建二至丸抗OP"成分-靶点-通路"网络模型进行分析。结果二至丸中21个成分与细胞色素P450氧化还原酶(cytochrome P450 oxidoreductase,POR)、细胞色素P450 17α-1 (cytochrome P450 family 17 subfamily A member 1,CYP17 A1)、甲状旁腺激素(parathyroid hormone,PTH)等35个靶蛋白对接结果较好,靶蛋白集中分布于HIF-1信号通路、类风湿关节炎通路、甲状腺激素信号通路等15条通路。结论二至丸可能通过调控代谢相关通路、干预相关疾病途径、调节雌激素水平等方式防治OP,体现了中药多成分、多靶点和多途径的作用特点,为中医经典方剂二至丸作用机制的阐述提供了新的思路和线索。
OBJECTIVE To investigate the material basis and action mechanism for preventing osteoporosis of Erzhi Pill through network pharmacology. METHODS Autodock 4.0 was used to establish the interactions of compounds from Erzhi Pill with 36 target proteins related to OP, and the "ingredient-target-pathway" network of Erzhi Pill for OP treatment was constructed and analyzed by Cytoscape3.6.0. RESULTS 21 ingredients of Erzhi Pill were found to dock with 35 target proteins(POR,CYP17A1,PTH, et al) and 15 pathways, such as HIF-1 signaling pathway, Rheumatoid arthritis and Thyroid hormone signaling pathway, were affected. CONCLUSION The mechanism of Erzhi Pill for OP treatment may be linked with regulating metabolism pathways, intervening related diseases,adjusting the level of estrogen, and so on, reflecting the action features of multi-ingredients, multi-targets and multi-pathways of traditional Chinese medicine.This study provides new clues for further basic study on the pharmacological mechanism of Erzhi Pill.
作者
徐森楠
庄莉
翟园园
姚卫峰
徐佳
刘其南
包贝华
曹雨诞
张丽
丁安伟
XU Sen-nan;ZHUANG Li;ZHAI Yuan-yuan;YAO Wei-feng;XU Jia;LIU Qi-nan;BAO Bei-hua;CAO Yu-dan;ZHANG Li;DING An-wei(Schoolof Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China;Jiangsu Key Laboratory for High Technology Research of TCM Formulae and Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Nanjing University of Chinese Medicine, Nanjing 210023, China)
出处
《中国药学杂志》
CAS
CSCD
北大核心
2018年第22期1913-1920,共8页
Chinese Pharmaceutical Journal
基金
国家自然科学基金面上项目资助(81573554)
江苏高校"青蓝工程"资助
江苏省"六大人才高峰"高层次人才项目资助(2016-YY026)
2018年江苏省大学生创新训练计划资助.
关键词
网络药理学
分子对接
二至丸
骨质疏松
物质基础
作用机制
network pharmacology
molecular docking
Erzhi Pill
osteoporosis
material basis
action mechanism
