The potential mechanism of Bletilla striata in the treatment of ulcerative colitis determined through network pharmacology, molecular docking, and in vivo experimental verification

Abstract

Ulcerative colitis (UC) is a chronic nonspecific intestinal inflammatory disease, which belongs to a subtype of inflammatory bowel disease, but still lacks effective drug treatment. Bletilla striata ( B. striata ) is one of the most valuable traditional Chinese medicines (TCMs) in China, can stop bleeding, can promote wound healing, and can regulate immunity. Based on data mining, B. striata was found to be a common TCM for the treatment of UC, but the exact therapeutic mechanism is not yet known. This study aims to explore the potential mechanisms of B. striata in the treatment of UC using network pharmacology, molecular docking techniques, and in vivo experimental research. We extracted the active ingredients and targets of B. striata from the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database and analysis platform. We retrieved and screened the corresponding UC-related target genes in multiple databases. Subsequently, we constructed an herb-ingredient-target-disease-network, generated a protein–protein interaction network, performed Gene Ontology enrichment analysis, and performed Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis to identify potential treatment mechanisms. After screening for key active ingredients and target genes, we performed molecular docking using AutoDock Vina software to select the best binding target for molecular docking and validate the binding activity. The UC model was established in mice, and the results of network pharmacology and molecular docking were verified by in vivo experiments. In all, 5 compounds were obtained from the TCMSP database, and 74 UC-related pathogenic genes were obtained from GeneCards, DisGeNET, OMIM, TTD, and DrugBank. After KEGG enrichment analysis, pathways in cancer, the phosphatidylinositol 3-kinase (PI3K)/AKT signalling pathway, and metabolic pathways were identified as the top three signalling pathways associated with UC treatment. The results of molecular docking showed that the active components of B. striata have good binding activities to the pivotal targets epidermal growth factor receptor (EGFR) and PIK3CA. In a dextran sulphate sodium–induced colitis model, we found that B. striata can alleviate the symptoms of UC, decrease the secretion of the inflammatory cytokines interleukin-6 and tumour necrosis factor-α, and downregulate the expression levels of EGFR, PIK3CA, and p-AKT. In conclusion, the treatment of UC with B. striata may alleviate the inflammatory response of the colon, and B. striata mainly inhibits the EGFR/PI3K/AKT signalling pathways. Supplementary Information The online version contains supplementary material available at 10.1007/s00210-022-02370-9.

Network pharmacology analysis of Huangqi reveals quercetin as a therapeutic for allergic rhinitis via the RELA-regulated IFNG/IRF1 axis response

“…However, further investigation is required to fully understand the therapeutic potential of Huangqi as a natural and safe alternative for treating AR. In recent years, network pharmacology and molecular docking have emerged as powerful computational methods that aid drug discovery and accelerate the identi cation and development of new disease treatments (Liang et al, 2019, Cheng et al, 2022, Cong et al, 2023, Liu et al, 2023. By integrating multiple data sources, these methodologies provide a more comprehensive understanding of the potential therapeutic targets and active compounds of natural products ( Our research employed network pharmacology to identify potential therapeutic targets and active compounds of Huangqi for treating AR.…”

Integrated management of fruit trees and Bletilla striata: implications for soil nutrient profiles and microbial community structures

“…Its tuber is frequently used for medicinal purposes ( Sun B. et al, 2022 ; Zhu et al, 2023 ). The primary components include polysaccharides, phenanthrenes, phenanthroquinones, bibenzyls, triterpenes, lignans, and organic acids, showcasing a range of biological activities such as anti-inflammatory ( Jiang et al, 2019 ; Zhang C. et al, 2021 ), antifibrotic ( Jiang et al, 2023 ), anti-tumor ( Liu et al, 2022 ), and immune-regulatory effects ( Gong et al, 2023 ), thereby highlighting its significant medicinal value. Furthermore, due to the vivid and diverse colors of B. striata flowers, their prolonged blooming period, and strong adaptability, they have commendable applications in horticulture.…”