Network Pharmacology and Molecular Docking Technology Analysis of the Mechanism of Lichong Decoction in the Treatment of Uterine Leiomyoma

Yajie He, Yanbo Wang, Jingwen Xu, Zhiming Gao, Yang Huaizhong
In: 2022 IEEE International Conference on Bioinformatics and Biomedicine (BIBM) · 2022 · vol. 52 , pp. 3655–3661 · doi:10.1109/bibm55620.2022.9995112 · W4313527106
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This study identified key ingredients, targets, and pathways of Lichong Decoction for uterine leiomyoma using network pharmacology and molecular docking, suggesting its therapeutic effects are mediated by multiple targets and signaling pathways.

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Abstract

Background: Uterine Leiomyoma (UL) is one of the most common benign tumors of the female reproductive system. A Traditional Chinese Medicine (TCM) treatment known as Lichong Decoction (LD) can effectively alleviate the clinical symptoms of UL and reduce adverse reactions and complications. Methods: The active ingredients and targets of LD were retrieved in the TCMSP database and related literature, and the action targets of UL were obtained through the DisGeNET, Genecards, and OMIM databases. The intersection of LD and UL targets was extracted by R software, and the “ingredient-target” network was constructed by Cytoscape software. At the same time, a potential target protein interaction network was constructed by means of a protein interaction database (STRING), and information visualization and topology analysis were completed by Cytoscape software. R software was used for GO enrichment analysis and KEGG pathway enrichment analysis of intersection targets. Molecular docking technology was used for docking verification of key ingredients and core targets. Results: A total of 93 LD active ingredients and 143 LD-UL intersecting targets involving 2,660 GO analysis items and 178 KEGG signaling pathways were obtained. It is predicted that the key active ingredients of LD in the treatment of UL may be quercetin, luteolin, hederagenin, bis-demethoxycurcumin, and kaempferol, which mainly involve SRC, TP53, HSP90AA1, AKT1, MAPK1, and other targets, and may play a role in the treatment of UL through multiple KEGG pathways such as PI3K−Akt signaling pathway, AGE-RAGE pathway in diabetic complications, and cancer-related pathway. Molecular docking results indicated that quercetin, luteolin, hederagenin, bis-demethoxycurcumin, and kaempferol had good docking effects with SRC, TP53, HSP90AA1, AKT1, and MAPK1, respectively. Conclusions: This study analyzed the key ingredients, core targets and related pathways of LD in the treatment of UL, confirmed the therapeutic effect of LD in the treatment of UL, and provided a reference for subsequent clinical practice and basic research in traditional Chinese medicine.

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