Study on the Mechanism of Achyranthes Bidentata Single Drug in the Prevention and Treatment of Ankylosing Spondylitis Based on Network Pharmacological Analysis and Molecular Docking Technology

Abstract

Abstract: Objective To investigate the mechanism of action of hyssop alone in the treatment of ankylosing spondylitis (AS) on the basis of network pharmacology. Methods The chemical composition of hyssop was searched using TCMSP, a technical platform for systematic pharmacology of traditional Chinese medicine, and the active ingredient targets of hyssop were searched using Swiss Target Prediction database, and then the GeneCards database, Drugbank database and Disgenet database were used to collect AS-related targets, so as to map AS-related targets The GeneCards database, Drugbank database and Disgenet database were then used to collect AS-related targets, thus mapping the AS-related targets and the predicted targets of hyssop, and finally obtaining the predicted targets of hyssop for AS. Potential targets for drug components to treat the disease were obtained with the help of Venny 2.1. Cyto-scape software was used to generate a protein-protein interaction (PPI) network for AS treatment with bullseye. GO and KEGG pathway analysis was performed using the DAVID website, followed by molecular docking via AutoDock Vina. Finally some of the stronger binding results were selected for visualization using Pymol software. Results There were 8 potentially active compounds of Oxalis based on database screening, with a total of 212 drug targets after removing duplicate terms. These included IL6, TNF, IL1B, PTGS2, VEGFA, CXCL8 protein, etc. A total of 2 624 disease targets were obtained from the screening database. The drug component targets and disease targets were intersected to obtain a total of 91 intersecting targets. The KEGG pathway analysis yielded 97 relevant pathways, and combined with previous literature studies, 12 possible pathways were screened for the treatment of AS, mainly divided into the following 4 categories: ① immune-related pathways: Toll-like receptor signalling pathway, NF-kB, NOD-like receptor signalling pathway, intestinal immune pathway, T-cell receptor signalling pathway;② inflammation-related pathways: adipokine pathway, AK/ST pathway;③ bone metabolism-related pathways: adipokine pathway, AK/ST pathway, etc. STAT pathway; (iii) bone metabolism-related pathways: Wnt/β-catenin signaling pathway, TNF pathway, osteoclast differentiation, steroid hormone synthesis; (iv) delayed fibrosis-related pathways: HIF-1a pathway, HIF-2a pathway. Conclusion Oxalis knee may play a role in immune-related pathways, inflammation-related pathways, bone metabolism-related pathways, and delayed fibrosis-related pathways through multi-target and multi-pathway treatment of AS.

Key words: Cow knee, Ankylosing spondylitis, Network pharmacology, Mechanism of action

CLC Number:

NI Jiao-jiao, ZHANG Hao, CHEN Ping, WANG Hai-dong, WANG Ai-hua. Study on the Mechanism of Achyranthes Bidentata Single Drug in the Prevention and Treatment of Ankylosing Spondylitis Based on Network Pharmacological Analysis and Molecular Docking Technology[J]. ZHONGHUA YANGSHENG BAOJIAN, 2024, 42(18): 74-77.

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