NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2021, Vol. 33 ›› Issue (增刊1): 100-108.doi: 10.16333/j.1001-6880.2021.S.012

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The network pharmacology study on the mechanism of Dracocephalum moldavica L. in the prevention and treatment of palpitation

ZHOU Lian-lian1,CHEN Qian1,LI Xin-yuan2,XIONG Fu-liang1*   

  1. 1School of Chemistry,Chemical Engineering and Life Sciences,Wuhan University of Technology,Wuhan 430070,China;2Wuhan Jianmin Zhongwei Pharmaceutical Co.,Ltd.,Wuhan 430056,China

  • Online:2021-08-28 Published:2021-09-08

Abstract:

The method of network pharmacology was used to predict the potential targets and mechanism of Dracocephalum moldavica L. in the preventment and treatment of palpitation.According to the bibliography retrival and TCMSP database,the active components with oral bioavailability (OB) more than 20% and drug like (DL) more than 0.18 were selected as the candidate pharmacodynamic components.The PharmMapper database was used to match the biomacromolecules with similar spatial structure to the candidate pharmacodynamic components,and the corresponding specific targets,for constructing the components-targets network.The gene related to palpitation was obtained by genecards database,and the disease-targets PPI network was constructed.By combining the component-target network and the disease-targets PPI network,the disease-components-targets-pathway PPI network was obtained.Through network analysis,the main effective components and potential targets of D. moldavica in the treatment of palpitation were obtained,and the mechanism of action was predicted.This research obtained 16 active components and 23 key targets,including TGF-β binding to receptor,endocardial cushion and heart valve cell formation and development,interlobular cell formation,etc.The KEGG pathway was enriched in four related signal pathways,including apoptosis,colorectal cancer,pancreatic adenocarcinoma and diabetes.According to the above results,it is considered that the main active components of D. moldavica against palpitation may be oleanolic acid,and the key targets may be TGFBR2,NOS3,CASP3,BMP2,MAPK8,ALB,TTR,F2,etc..

Key words: Dracocephalum moldavica L., palpitation, network pharmacology, potential target

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