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基于网络药理学和分子对接的姜黄主要成分抗肝纤维化作用机制研究进展:综述。

Mechanisms of main components in Curcuma longa L. on hepatic fibrosis based on network pharmacology and molecular docking: A review.

机构信息

Department of Traditional Chinese Medicine, Health Service Center of Beiyuan Community, Beijing, China.

Faculty of Rehabilitation Medicine, Binzhou Medical University, Yantai, Shandong Province, China.

出版信息

Medicine (Baltimore). 2023 Jul 21;102(29):e34353. doi: 10.1097/MD.0000000000034353.

Abstract

BACKGROUND

Hepatic fibrosis is a great concern in public health. While effective drugs for its treatment are lacking, Curcuma longa L. (CL) has been reported as a promising therapeutic. We aimed to uncover the core components and mechanisms of CL against hepatic fibrosis via a network pharmacology approach.

METHODS

The main components of CL were obtained and screened. While targets of components and disease were respectively collected using SwissTargetPrediction and online databases, common targets were assessed. A protein-protein interaction (PPI) network was constructed, and core targets were identified. GO and KEGG pathway enrichment analyses were performed, and molecular docking was conducted to validate the binding of core components in CL on predicted core targets.

RESULTS

Nine main components from CL based on high-performance liquid chromatography (HPLC) and 63 anti-fibrosis targets were identified, and a PPI network and a component target-disease target network were constructed. Apigenin, quercetin, demethoxycurcumin, and curcumin are likely to become key phenolic-based components and curcuminoids for the treatment of hepatic fibrosis, respectively. KEGG pathway enrichment analysis revealed that the HIF-1 signaling pathway (hsa04066) was most significantly enriched. Considering core targets of the PPI network and a network of the common targets and pathways enriched, AKT1, MAPK1, EGFR, MTOR, and SRC may be the core potential targets of CL against hepatic fibrosis. Molecular docking was carried out to verify the binding of above core components to core targets.

CONCLUSIONS

The therapeutic effect of CL on hepatic fibrosis may be attributed to multi-components, multi-targets, and multi-pathways.

摘要

背景

肝纤维化是公共卫生领域的一大关注点。虽然缺乏有效的治疗药物,但姜黄(CL)已被报道为一种有前途的治疗方法。我们旨在通过网络药理学方法揭示 CL 治疗肝纤维化的核心成分和机制。

方法

获得并筛选姜黄的主要成分。同时使用 SwissTargetPrediction 和在线数据库分别收集成分和疾病的靶点,评估共同靶点。构建蛋白质-蛋白质相互作用(PPI)网络,确定核心靶点。进行 GO 和 KEGG 通路富集分析,并进行分子对接验证 CL 中核心成分对预测核心靶点的结合。

结果

基于高效液相色谱(HPLC)的 CL 的 9 种主要成分和 63 种抗纤维化靶点被鉴定,构建了 PPI 网络和成分-靶点-疾病靶点网络。芹菜素、槲皮素、去甲氧基姜黄素和姜黄素可能分别成为治疗肝纤维化的关键酚类成分和姜黄素类成分。KEGG 通路富集分析表明,HIF-1 信号通路(hsa04066)最为显著富集。考虑到 PPI 网络的核心靶点和共同靶点及通路富集网络,AKT1、MAPK1、EGFR、MTOR 和 SRC 可能是 CL 治疗肝纤维化的核心潜在靶点。进行分子对接验证了上述核心成分与核心靶点的结合。

结论

CL 对肝纤维化的治疗作用可能归因于多成分、多靶点和多途径。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/79e1/10662913/5aeb84090598/medi-102-e34353-g001.jpg

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