基于分子对接和网络药理学的思茅永安煎剂对心力衰竭的作用机制探索

IF 1.3 3区医学 Q3 CHEMISTRY, APPLIED

Journal of Asian Natural Products Research Pub Date : 2024-12-01 Epub Date: 2024-07-03 DOI:10.1080/10286020.2024.2370409

Han Qiu, Sheng-Nan Zhao, Jin-Ling Han, Miao Yu, Ruo-Di Wang, Jing-Ru Fang, Yan-Zhu Luo, Ling-Juan Zhu, Xin-Sheng Yao

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引用次数: 0

摘要

采用SwissTargetPrediction预测四妙汤有效成分的潜在药物靶点。在Genecard数据库中搜索高频的治疗靶点，并使用Cytoscape3.9.1软件构建 "药物-成分-靶点-疾病网络 "图。此外，还利用String平台构建了蛋白质-蛋白质相互作用（PPI）网络，并利用DAVID数据库进行了GO和KEGG分析。使用 AutoDockTools-1.5.6 软件进行分子对接验证。网络药理学研究表明，AKT 1、ALB 和 CASP 3 是 SMYAD 抗心衰的关键作用靶点。活性化合物为槲皮素和山奈酚。

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Exploring the mechanism of Si-Miao-Yong-An decoction on heart failure based on molecular docking and network pharmacology.

The SwissTargetPrediction was employed to predict the potential drug targets of the active component of Si-Miao-Yong-An decoction (SMYAD). The therapeutic targets for HF were searched in the Genecard database, and Cytoscape3.9.1 software was used to construct the "drug-component-target-disease network" diagram. In addition, the String platform was used to construct Protein-Protein Interaction (PPI) network, and the DAVID database was used for GO and KEGG analysis. AutoDockTools-1.5.6 software was used for molecular docking verification. Network pharmacology studies have shown that AKT 1, ALB, and CASP 3 are the key targets of action of SMYAD against heart failure. The active compounds are quercetin and kaempferol.

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来源期刊

Journal of Asian Natural Products Research 医学-药学

CiteScore

3.20

自引率

5.90%

发文量

审稿时长

2.3 months

期刊介绍： The Journal of Asian Natural Products Research (JANPR) publishes chemical and pharmaceutical studies in the English language in the field of natural product research on Asian ethnic medicine. The journal publishes work from scientists in Asian countries, e.g. China, Japan, Korea and India, including contributions from other countries concerning natural products of Asia. The journal is chemistry-orientated. Major fields covered are: isolation and structural elucidation of natural constituents (including those for non-medical uses), synthesis and transformation (including biosynthesis and biotransformation) of natural products, pharmacognosy, and allied topics. Biological evaluation of crude extracts are acceptable only as supporting data for pure isolates with well-characterized structures. All published research articles in this journal have undergone rigorous peer review, based on initial editor screening and anonymized refereeing by at least two expert referees.