Academic Journal

Evaluation of the Molecular Mechanism of Chlorogenic Acid in the Treatment of Pulmonary Arterial Hypertension Based on Analysis Network Pharmacology and Molecular Docking

التفاصيل البيبلوغرافية
العنوان: Evaluation of the Molecular Mechanism of Chlorogenic Acid in the Treatment of Pulmonary Arterial Hypertension Based on Analysis Network Pharmacology and Molecular Docking
المؤلفون: Jovito Cesar Santos-Álvarez, Juan Manuel Velázquez-Enríquez, Rafael Baltiérrez-Hoyos
المصدر: Journal of Vascular Diseases, Vol 3, Iss 1, Pp 11-33 (2024)
بيانات النشر: MDPI AG, 2024.
سنة النشر: 2024
المجموعة: LCC:Diseases of the circulatory (Cardiovascular) system
مصطلحات موضوعية: chlorogenic acid, pulmonary arterial hypertension, pulmonary disease, network pharmacology, molecular docking, drug discovery, Diseases of the circulatory (Cardiovascular) system, RC666-701
الوصف: Background: Pulmonary arterial hypertension (PAH) is a serious disease characterized by increased pressure in the pulmonary arteries, which can lead to heart failure and death. Chlorogenic acid (CGA) is a natural compound present in several foods and medicinal plants and has been described to exert a therapeutic effect in various diseases. However, its potential therapeutic effect on PAH remains undeciphered. In this study, the potential of CGA for the treatment of PAH was investigated using network pharmacology analysis and molecular docking. Methods: Potential CGA targets were obtained from the SwissTargetPrediction and GeneCards databases. Moreover, potential PAH targets were collected from the GeneCards and DisGNET databases. Then, common targets were selected, and a protein-protein network (PPI) was constructed between common CGA and PAH targets using the STRING database. The common hub targets were selected, and GO enrichment analysis was performed via KEGG using the DAVID 6.8 database. Additionally, molecular docking analysis was performed to investigate the interaction between CGA and these potential therapeutic targets. Results: We obtained 168 potential targets for CGA and 5779 potential targets associated with PAH. Among them, 133 were common to both CGA and PAH. The main hub targets identified through PPI network analysis were TP53, HIF1A, CASP3, IL1B, JUN, MMP9, CCL2, VEGFA, SRC, IKBKB, MMP2, CASP8, NOS3, MMP1, and CASP1. KEGG pathway analysis showed that these hub targets are associated with pathways such as lipid and atherosclerosis, fluid shear stress and atherosclerosis, and the IL-17 signaling pathway. In addition, the molecular docking results showed a high binding affinity between CGA and the 15 hub PAH-associated targets, further supporting its therapeutic potential. Conclusions: This study provides preliminary evidence on the underlying molecular mechanism of CGA in the treatment of PAH. The findings suggest that CGA could be a promising option for the development of new PAH drugs.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 2813-2475
Relation: https://www.mdpi.com/2813-2475/3/1/2; https://doaj.org/toc/2813-2475
DOI: 10.3390/jvd3010002
URL الوصول: https://doaj.org/article/28b4a39ed7e14f26a50f4ce60c6df47f
رقم الانضمام: edsdoj.28b4a39ed7e14f26a50f4ce60c6df47f
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:28132475
DOI:10.3390/jvd3010002