NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2022, Vol. 34 ›› Issue (增刊1): 130-141. doi: 10.16333/j.1001-6880.2022.S.019

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Potential targets and molecular mechanisms of Yiqi Ziyin Huoxue Prescription in the treatment of type 2 diabetes mellitus based on network pharmacology and molecular docking

LI Li-yuan1,GUO Xiao1,WANG Xiao-ying1,LI Yi-kun1,ZHANG yue1,2,YANG Gao-shan1,2,SONG Qiu-hang1,2*,LI Ai-ying2,3*   

  1. 1College of Basic Medical Sciences,Hebei University of Chinese Medicine;2Hebei Key Laboratory of Chinese Medicine Research on Cardiocerebrovascular Disease;3College of Nursing,Hebei University of Chinese Medicine,Shijiazhuang 050200,China
  • Online:2022-06-01 Published:2022-05-19

Abstract:

Based on database screening,core network analysis,pathway enrichment analysis,molecular docking and GEO data analysis,to predict and screen the effective compounds and mechanisms of Yiqi Ziyin Huoxue Prescription(YZHP) composed of four herbs (Astragali Radix,Dioscoreae Rhizoma,Salviae Miltiorrhizae Radix et Rhizoma and Rehmanniae Radix) in treating type 2 diabetes mellitus (T2DM).The results showed that the contents of salvianolic acid J,salvianolic acid D,stigmasterol,quercetin, luteolin,kaempferol, β-sitosterol and other compounds can target AKT1,MAPK1,IL6 and STAT3 in PI3K-Akt signaling pathway,MAPK signaling pathway,AGE-RAGE signaling pathway and IL-17 signaling pathway to treat T2DM.And found that several salvianolic acids were potential inhibitors of AKT1 and MAPK1,especially salvianolic acids A,C and H have strong binding ability with AKT1 and MAPK1.In the future,the structure of salvianolic acids A,C and H can be modified to make them reach the standard of patent medicine,and become the targeted inhibitors of AKT1 and MAPK1 for the treatment of T2DM.In this paper,providing ideas and reference basis for clinical treatment of T2DM with YZHP,providing leading compounds for screening and developing targeted inhibitors of AKT1 and MAPK1 from natural products,providing theoretical basis for further elucidating the prevention and treatment of T2DM with YZHP,providing theoretical basis for further elucidating the prevention and treatment of T2DM with YZHP.

Key words: Yiqi Ziyin Huoxue Prescription, T2DM, network pharmacology, molecular docking, GEO

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