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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.

Bioinformation
|June 3, 2022
PubMed

Insights

Arjunolic acid, a compound from the Terminalia arjuna plant, shows promise for treating coronary artery disease (CAD) by targeting APOE4. This natural compound could lead to new therapeutic strategies for cardiovascular health.

Area of Science:

  • Biochemistry
  • Pharmacology
  • Genetics

Background:

  • Coronary artery disease (CAD) poses a significant global health challenge, necessitating novel therapeutic interventions.
  • Apolipoprotein-E (APOE) plays a critical role in CAD progression, particularly the APOE4 isoform.
  • Natural phyto-compounds are increasingly explored for their therapeutic potential in managing chronic diseases.

Purpose of the Study:

  • To identify plant-derived compounds with cardio-protective activity targeting the APOE4 isoform.
  • To investigate the potential of natural compounds in developing new treatments for CAD.

Main Methods:

  • Molecular docking simulations were employed to assess protein-ligand interactions.
  • Twenty phyto-chemicals from various plants were screened for their binding affinity against APOE isoforms.
  • Arjunolic acid from Terminalia arjuna was identified as a lead candidate.

Main Results:

  • Arjunolic acid demonstrated significant binding affinity against the targeted APOE4 isoform.
  • This phyto-compound emerged as a promising therapeutic candidate for APOE4-associated CAD.
  • The study highlights the potential of natural products in drug discovery for cardiovascular diseases.

Conclusions:

  • Arjunolic acid is a potential therapeutic agent for treating CAD, particularly in individuals with the APOE4 genotype.
  • Further clinical evaluations of arjunolic acid and its derivatives are warranted for CAD treatment.
  • Natural compounds offer a viable avenue for developing novel medications for cardiovascular conditions.

Keywords:
Phyto compoundsapo lipoproteinarjunolic acidcoronary artery diseasedocking

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