NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2021, Vol. 33 ›› Issue (12): 2136-2145. doi: 10.16333/j.1001-6880.2021.12.018

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Based on network pharmacology to analyze the mechanism of Lobeliae Chinensis Herba-Hedyotis Herba drug pair on the treatment of psoriasis

SHEN Le-le1,XI Jian-yuan2*,SUN Li-xin3,WANG Zi-jia3,LIU Jun-yu3,LI Jing3   

  1. 1Ningxia Medical University,Yinchuan 750004,China;2The First Affiliated Hospital of Hunan University of Chinese Medicine,Changsha 410000,China;3Hunan University of Chinese Medicine,Changsha 410208,China

  • Online:2021-12-28 Published:2021-12-30

Abstract:

In this study,network pharmacology and molecular docking technology were used to study the effective active components and mechanism of “Lobeliae Chinensis Herba-Hedyotis Herba” in the treatment of psoriasis.The TCMSP database was used to screen the active components and targets of the drug pair “Lobeliae Chinensis Herba-Hedyotis Herba”,and the psoriasis disease targets and intersection targets were obtained through the genecards database.The network diagram was constructed by using Cytoscape 3.6.1 software,the protein interaction network was constructed by using string database,and the core target proteins were screened,Gene Ontolog(GO) and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment analysis were carried out for the intersection target.Finally,SYBYL-X 2.1.1 was used to verify the simulated molecular docking of “Lobeliae Chinensis Herba-Hedyotis Herba” with the core target protein.We screened and obtained 24 active components from “Lobeliae Chinensis Herba-Hedyotis Herba”,quercetin,luteolin,kaempferol,acacetin,β-sitosterol,and cycloeucalenol are the key active components of the drug pair,and their effects mainly involve the core target proteins of AKT1,JUN,MAPK1,RELA,HSP90AA1,IL6,ESR1,MAPK8,EGFR,MAPK14.The enrichment analysis of GO and KEGG pathways suggests that the biological process of drug intervention in psoriasis is complex and diverse,including PI3K-Akt signaling pathway,VEGF related pathway,Th1 and Th2 cells,B cell receptor and HIF-1α signaling pathway.Among the 60 docking results,half of them suggested that they had better docking activity.Quercetin had the best binding to the core target protein,and HSP90AA1 was the target protein with the best binding activity of the key chemical components in “Lobeliae Chinensis Herba-Hedyotis Herb”.The mechanism of “Lobeliae Chinensis Herba-Hedyotis Herba” on the intervention of psoriasis has the characteristics of multi-pathway and multi-channel,which is closely related to angiogenesis,inflammatory response,immune-mediated and other pathways.It preliminarily reveals the key targets of its action and the biological processes and signal pathways involved,so as to provide a theoretical basis for the treatment of psoriasis and experimental research in the future.

Key words: Lobeliae Chinensis Herba-Hedyotis Herba, psoriasis, mechanism, network pharmacology, molecular docking

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