■桃红四物汤(THSWD)是一种经典的中药(TCM)配方,以其促进血液循环的作用而闻名,祛瘀,和恢复活力。已有关于THSWD治疗由紫杉醇引起的化疗诱导的周围神经病变(CIPN)的临床报道。我们进行了网络药理学和分子对接分析,以进一步阐明THSWD对CIPN发挥保护作用的分子机制。
■通过中药系统药理学数据库和分析平台(TCMSP)获得THSWD的化学成分及其相应的靶标,在疾病数据库中搜索CIPN的相关目标,包括在线孟德尔人遗传(OMIM),治疗目标数据库(TTD),GeneCards,和DrugBank。使用维恩图确定了THSWD和CIPN之间的共同目标。使用搜索工具构建蛋白质-蛋白质相互作用(PPI)网络,以检索相互作用的基因/蛋白质(STRING),其次是基因本体论(GO)和京都基因和基因组百科全书(KEGG)途径富集分析。AutoDock和PyMOL用于THSWD关键组分与核心靶标的分子对接验证。
■总共鉴定出69种THSWD化学成分,对应于856个目标;2,297个目标与CIPN相关,与105个共同目标相交.PPI分析确定了八个核心目标:MYC,TNF,MAPK14,AKT1,ESR1,RELA,TP53和HSP90AA1;KEGG富集分析涉及信号通路,如PI3K-Akt,NF-κB,HIF-1等。分子对接结果表明,所选择的活性成分与其相应的靶蛋白具有良好的结合活性。
■通过网络药理学,本研究发现THSWD在治疗CIPN方面具有显著优势。通过分析潜在的核心目标,生物学功能,并涉及信号通路,我们阐明了参与THSWD治疗效果的潜在分子生物学机制。本研究为THSWD治疗CIPN的临床应用提供了理论依据。
UNASSIGNED: Taohong Siwu decoction (THSWD) is a classic traditional Chinese medicine (TCM) formula known for its effects in promoting blood circulation, removing blood stasis, and rejuvenating energy. There have been clinical reports of THSWD treating chemotherapy-induced peripheral neuropathy (CIPN) caused by paclitaxel. We conducted a network pharmacology and molecular docking analysis to further clarify the molecular mechanisms by which THSWD exerts its protective effects against CIPN.
UNASSIGNED: Chemical components of THSWD and their corresponding targets were obtained through the traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP), and related targets of CIPN were searched in disease databases including Online Mendelian Inheritance in Man (OMIM), Therapeutic Target Database (TTD), GeneCards, and DrugBank. Common targets between THSWD and CIPN were identified using Venn diagrams. A protein-protein interaction (PPI) network was constructed using Search Tool for the Retrieval of Interacting Genes/Proteins (STRING), which was followed by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis. AutoDock and PyMOL were used for the molecular docking validation of the key components of THSWD with core targets.
UNASSIGNED: At total of 69 chemical components of THSWD were identified, corresponding to 856 targets; 2,297 targets were associated with CIPN, with an intersection of 105 common targets. PPI analysis identified eight core targets: MYC, TNF, MAPK14, AKT1, ESR1, RELA, TP53, and HSP90AA1; KEGG enrichment analysis implicated signaling pathways such as PI3K-Akt, NF-κB, and HIF-1, etc. Molecular docking results indicated that the selected active components and their corresponding target proteins have good binding activity.
UNASSIGNED: Through network pharmacology, this study found that THSWD has significant advantages in treating CIPN. By analyzing potential core targets, biological functions, and involved signaling pathways, we clarified the potential molecular biological mechanisms involved in THSWD\'s treatment effect. This study provides a theoretical basis for the clinical application of THSWD in treating CIPN.