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International Journal of World Medicine, 2022, 3(1); doi: 10.38007/IJWM.2022.030101.

Probe into Mechanism of Treatment of Ulcerative Colitis by Using Network Pharmacology and Molecular Docking Techniques


Dongxue Yan and Zhihong Yang

Corresponding Author:
Zhihong Yang

Affiliated Hospital of Shaanxi University of Chinese Medicine, Xianyang 712000, China


The main compounds and targets of herbal medicine of Chun genpi and Di jincao in the treatment of ulcerative colitis were studied by network pharmacology and molecular docking techniques, and the mechanism of its therapeutic effect was analyzed. Drug active components and drug targets were screened by TCMSP database, UC disease genes were searched by Genecards and OMIM databases, and the relationship network of "compound-drug target-disease gene" was constructed. The DAVID database could analyze the GO of the candidate targets and the R language package could analyze the biological pathway enrichment of the candidate targets. Molecular docking was carried out by Autodock software, and the binding sites and binding energy were obtained. There are 16 active compounds corresponding to 314 targets in the drug pair. 102 genes of UC disease are affected. 570 GO items were screened by GO functional analysis of intersection targets, including 444 items in biological process, 43 items in cell composition and 83 items in molecular function. 163 pathways were screened by KEGG. The results of molecular docking show that the key targets have good binding activity with the corresponding compounds. The drug pair has the characteristics of multi-component, multi-target and multi-pathway in the treatment of UC. It provides a theoretical basis for the further study of the drug pair in the treatment of UC.


Herbal Medicine of Chun Genpipi and Di Jincao, Ulcerative Colitis, Network Pharmacology, Molecular Docking

Cite This Paper

Dongxue Yan and Zhihong Yang. Probe into Mechanism of Treatment of Ulcerative Colitis by Using Network Pharmacology and Molecular Docking Techniques. International Journal of World Medicine (2022), Vol. 3, Issue 1: 1-12. https://doi.org/10.38007/IJWM.2022.030101.


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