摘要
目的探讨参仙片治疗骨质疏松症的作用机制。方法通过中药系统药理学数据库和分析平台(TCMSP)检索参仙片中各味中药的活性成分,把筛选后的成分导入PubChem及SwissTargetPrediction数据库预测活性成分的潜在靶点,利用GeneCards数据库检索骨质疏松症相关靶点,将两种方法所得靶点进行映射;构建“药物-成分-潜在靶点”网络,将潜在靶点导入String数据库,构建蛋白相互作用(PPI)网络,筛选关键靶点;利用David数据库将潜在靶点进行GO功能富集分析和KEGG通路富集分析。将排前3名的关键靶点与排前3名的关键化合物利用PyMol和AutoDockvina等软件进行分子对接。结果筛选出有效活性成分57个、对应靶点404个、与骨质疏松症的共同靶点259个,其中关键靶点涉及AKT1,IL-6,TP53等。GO功能富集分析得到1084个生物学过程,KEGG通路富集分析得到121条信号通路。分子对接结果表明,前3名关键靶点与前3名关键活性成分具有较好的结合力。结论参仙片可通过多种作用机制预防和治疗骨质疏松症。该研究可为参仙片的临床应用提供参考。
Objective To investigate the mechanism of Shenxian Tablets in the treatment of osteoporosis.Methods The active ingredients of each traditional Chinese medicine in Shenxian Tablets were obtained and screened through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),and the screened ingredients were imported into the PubChem and Swiss Target Prediction database to predict the potential targets of active ingredients.The osteoporosis-related targets were searched through the GeneCards database,and the targets obtained by the two methods were mapped.The″drug-compound-potential target″network was constructed,the potential targets were imported into the String database,the protein-protein interaction(PPI)network was constructed,and the key targets were screened.Gene Ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis of potential targets were performed by using the David database.The top three key targets were docked to the top three key active ingredients by PyMol,Auto Dockvina and other software.Results A total of 57 active ingredients were obtained through screening,corresponding to 404 targets,and 259 common targets with osteoporosis,of which the key targets involved AKT1,IL-6,TP53,etc.A total of 1084 biological processes were obtained by GO functional enrichment analysis and 121 signal pathways were obtained by KEGG pathway enrichment analysis.The results of molecular docking showed that the top three key targets had a good binding ability with the top three key active ingredients.Conclusion Shenxian Tablets can prevent and treat osteoporosis through a variety of mechanisms.This study can provide a reference for the clinical application of Shenxian Tablets.
作者
申丽莎
杨堃
蒋成英
张安琪
杨巧虹
SHEN Lisha;YANG Kun;JIANG Chengying;ZHANG Anqi;YANG Qiaohong(Chongqing Academy of Chinese Materia Medica,Chongqing,China 400061;Chongqing Institute for Foodand Drug Control·Chongqing Engineering Center for Pharmaceutical Process and Quality Control,Chongqing,China 401121;Chongqing Quality Testing and Inspection Centerfor Medical Devices,Chongqing,China 401147)
出处
《中国药业》
CAS
2021年第18期32-36,共5页
China Pharmaceuticals
基金
重庆市基础科学与前沿技术研究项目[cstc2017jcyjAX0112]。
关键词
网络药理学
分子对接
参仙片
骨质疏松症
作用机制
network pharmacology
molecular docking
Shenxian Tablets
osteoporosis
action of mechanism
