基于网络药理学预测和分子对接策略探索杜霍-济生配对抗骨关节炎的潜在机制

IF 2.8 4区 医学 Q2 PHARMACOLOGY & PHARMACY
Haiyang Kou, Jianbing Ma
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引用次数: 0

摘要

目的:杜藿济生对是杜藿济生煎的主药:杜霍济生对是杜霍济生煎中的主药,是最早记载于《千金备急》中的经典方剂:方法:我们从中医药数据库(TCMSP)中获得了杜霍济生的主要成分及其相关蛋白靶标。我们使用 Cytoscape 3.9.1 构建了一个复合靶标网络。为了确定治疗骨关节炎(OA)的潜在靶点,我们从 OMIM 和 GeneCards 数据库中检索了疾病靶点,并与复合靶点进行了比较。我们将重叠的靶点导入 STRING 数据库,构建了蛋白质-蛋白质相互作用(PPI)网络。我们还对靶标进行了基因本体(GO)和KEGG富集分析:结果:靶标网络由许多节点和边缘组成。值得注意的是,槲皮素、杏仁苷和β-谷甾醇被确定为具有较高程度的化合物。在 PPI 网络中,肿瘤坏死因子(TNF)、TP53 和 NOS2 被确定为高度蛋白。GO和KEGG分析结果显示,DHQJD用于治疗OA的信号通路包括NF-κB、PI3K-AKT和TNF通路:我们的研究深入揭示了杜霍集生片治疗 OA 的有效成分和潜在分子机制,为该领域的基础研究提供了参考。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Network pharmacology prediction and molecular docking-based strategy to explore the potential mechanism of Duhuo-Jisheng pair against osteoarthritis.

Objective: The Duhuo-Jisheng pair is the ruling herb in Duhuo Jisheng decoction, which is a classic formula first recorded in the preparedness and urgency of the thousand jewels.

Methods: We obtained the primary constituents of Duhuo-Jisheng and their associated protein targets from the TCMSP database. We constructed a composite target network using Cytoscape 3.9.1. To identify potential targets for the treatment of osteoarthritis (OA), we retrieved disease targets from OMIM and GeneCards databases and compared them with the composite targets. We imported the overlapping targets into the STRING database to construct a protein-protein interaction (PPI) network. We also conducted Gene ontology (GO) and KEGG enrichment analyses on the targets.

Results: The component target network consisted of numerous nodes and edges. Notably, quercetin, ammidin, and β-sitosterol were identified as the compounds with high degrees. The PPI network identified tumour necrosis factor (TNF), TP53, and NOS2 as proteins with high degrees. The results of GO and KEGG analyses revealed that the signalling pathways used by DHQJD to treat OA included the NF-κB, PI3K-AKT, and TNF pathways.

Conclusion: Our study provides insights into the effective components and potential molecular mechanisms of Duhuo-Jisheng in treating OA, thus serving as a reference for further basic research in this field.

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来源期刊
CiteScore
6.60
自引率
0.00%
发文量
91
审稿时长
3 months
期刊介绍: JPP keeps pace with new research on how drug action may be optimized by new technologies, and attention is given to understanding and improving drug interactions in the body. At the same time, the journal maintains its established and well-respected core strengths in areas such as pharmaceutics and drug delivery, experimental and clinical pharmacology, biopharmaceutics and drug disposition, and drugs from natural sources. JPP publishes at least one special issue on a topical theme each year.
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