Computational Design for Human Angiotensin Converting Enzyme as a Target for Arjunolic Acid Causes Coronary Artery Disease

Cardiometry

article

Alok Kumar Moharana¹  Vijay Laxmi²  Lalit Prasad³ 

[1] School of Health & Allied Science, ARKA JAIN University Jharkhand;School of Allied Science, Dev Bhoomi Uttarakhand University Dehradun;Department of Basic Sciences, Galgotias University Greater Noida

关键词: Arjunolic Acid;    Autodock;    Coronary Artery Disease (CAD);    Human Angiotensin Converting Enzyme;    Protein Data Bank;    Terminalia arjuna;   

DOI  :  10.18137/cardiometry.2022.24.345352

学科分类：环境科学（综合）

来源: Russian New University

【 摘 要 】

A leading cause of mortality around the globe is coronary artery disease (CAD). Major improvements in CAD therapy have been developed during the last ten years. According to the degree, kind, and clinical manifestation of CAD, the current treatments are either chemical treatments, surgical, or a combination of both. The bark of the Indian medicinal plant “Terminalia arjuna” has been used for decades as a heart stimulant. Several medicinal elements, including saponins and flavonoids, have been isolated from the bark. Terminalia arjuna has been the subject of numerous experimental and clinical research for its ability to treat cardiovascular diseases. Because protein-ligand interactions are important in structure-based treatment discovery, we used molecular docking to analyze Arjunolic acid (phytochemical found in T. arjuna) and examined their binding affinity against the cardiovascular target protein. The three-dimensional (3D) structure of the Human Angiotensin Converting Enzyme (Target Cardiovascular Protein) was obtained from Protein Data Bank and docked using the Autodock tool. As a result of our research, T. arjuna seems to be a good option for producing broad-spectrum medicines to treat cardiovascular disease.

【 授权许可】

CC BY