Exploration on the pharmacological basis of Lycopi Herba as alternative of Alismatis Rhizoma for the treatment of heart failure based on network pharmacology and molecular docking techniques
10.3760/cma.j.cn115398-20231020-00196
- VernacularTitle:基于网络药理学与分子对接技术探究泽兰替代泽泻治疗心力衰竭的药效基础
- Author:
Siyu LIU
1
;
Yujiao SHI
;
Yongcheng LIU
;
Xiaoyu LIANG
;
Chenguang YANG
;
Wenbo QIAO
;
Guoju DONG
Author Information
1. 中国中医科学院西苑医院心血管一科，北京 100091
- Keywords:
Lycopi Herba;
Alismatis Rhizoma;
Heart failure;
Network pharmacology;
Molecular docking techniques
- From:
International Journal of Traditional Chinese Medicine
2024;46(8):1045-1052
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To investigate whether Lycopi Herba can serve as a viable alternative to Alismatis Rhizoma in the treatment of heart failure (HF) through network pharmacology and molecular docking techniques.Methods:TCMSP database was used to filter active components of Lycopi Herba and Alismatis Rhizoma. SwissTargetPrediction database was used to predict potential targets. HF-related targets were collected from databases such as GeneCards, OMIM, and DisGeNET. Venny 2.1.0 was used to draw a Venn diagram illustrating the intersection of targets between Lycopi Herba and Alismatis Rhizoma and HF. A protein-protein interaction (PPI) network was established using the String database, and key targets for the treatment of HF with Lycopi Herba and Alismatis Rhizoma were selected using Cytoscape 3.9.1 software to construct a component-intersection target network. The intersection targets were then analyzed for Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways using Metascape. Molecular docking techniques were used to evaluate the affinity between active components and key targets.Results:Lycopi Herba primarily targeted pivotal proteins such as HMGCR and CYP27B1, while Alismatis Rhizoma had a broader target spectrum, including PPARA, JAK2, among others. Shared key targets between the two included HMGCR and ESR1, which were primarily involved in cholesterol synthesis and steroid hormone biosynthesis. Enrichment pathway analysis showed similarities in steroid metabolism between the two; Alismatis Rhizoma, however, was more likely to act through protein phosphorylation regulation and modulating the PI3K-Akt signaling pathway for HF treatment. A unique target for Lycopi Herba in treating HF was CHRM4, indicating its potential for blood pressure regulation and myocardial protection.Conclusions:Both Lycopi Herba and Alismatis Rhizoma exhibit certain commonalities in the treatment of HF, but Alismatis Rhizoma has a wider range of targets and signaling pathways, implying more extensive therapeutic potential. However, considering the nephrotoxicity of Alismatis Rhizoma, Lycopi Herba could be considered as an alternative treatment for HF, especially in patients with renal insufficiency or in the early stages of HF.
