HOME   |    PDF   |   


Molecular docking analysis of arjunolic acid from Terminalia arjuna with a coronary artery disease target APOE4



Lima Hazarika1,*, Supriyo Sen1 & Jitesh Doshi2



1Department of Biosciences, Assam Don Bosco University, Sonapur, 782402, Assam, India;  2BioInsight Solutions Private Limited, Kharghar, Navi Mumbai,410210, Maharashtra, India; *Corresponding author



jitesh_doshi@outlook.com; hazarikalima3@gmail.com; supriyo.sen@dbuniversity.ac.in;


Article Type

Research Article



Received October 1, 2021; Revised October 25, 2021; Accepted October 25, 2021, Published November 30, 2021



Apo lipoprotein-E (APOE) encoded by APOE gene, is a plasma glycoprotein of 34.15 kDa and has a significant genetic association in coronary artery disease (CAD) progression. The silent epidemic of different cardiovascular diseases including CAD challenges novel therapeutic alternatives to prevent to treat chronic conditions of the disease and its associated complications. It is believed that natural phyto compounds and extracts have been a potential source of treating health conditions and have been practiced since several decades. The aim of the study is to identify phyto compounds having significant cardio protective activity targeting APOE4. Since protein-ligand interactions play a leading role in structure-based drug design, with the help of molecular docking, we selected 20 phyto chemicals present in different plants and investigated their binding affinity against targeted APOE isoforms. Among all selected phytoc ompounds, arjunolic acid, from Terminalia arjuna plant was found as promising candidate for developing therapeutic against APOE4 activated CAD. Findings from the present work could be further studied for clinical evaluations on human to adopt strategies and reduce the prevalence and mortality. Arjunolic acid derivatives can be used as a source of new medication or development of novel compounds in the treatment of CAD.



Phyto compounds, apo lipoprotein, arjunolic acid, docking, coronary artery disease.



Hazarika et al. Bioinformation 17(11): 949-958 (2021)


Edited by

P Kangueane






Biomedical Informatics



This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.