Computational molecular modelling of proline derivatives as ACE inhibitors
1 Department of Pharmaceutical Chemistry, Mar Dioscorus College of Pharmacy, Thiruvananthapuram, Kerala, India.
2 Mar Dioscorus College of Pharmacy, Thiruvananthapuram, Kerala, India.
Research Article
Open Access Research Journal of Science and Technology, 2023, 08(02), 064–078.
Article DOI: 10.53022/oarjst.2023.8.2.0050
Publication history:
Received on 14 June 2023; revised on 17 August 2023; accepted on 19 August 2023
Abstract:
Objective: The study aims to design Proline derivatives having anti-hypertensive activity by computational molecular modelling.
Methods: Various methodology used in the study include lead identification, selecting derivatives, molecular modelling, target identification, docking and visualizing the output. The ligands that show good binding scores are selected and Captopril was selected as standard drug.
Results: In this study, we designed various derivatives of acylated proline into a ligand having ACE Inhibitor activity. All the twenty designed derivatives showed more binding affinity towards the receptor compared to the standard drug Captopril.
Conclusions: The work concluded that the designed twenty ligands are promising ACE Inhibitors which provides anti-hypertensive activity.
Keywords:
Proline; Anti-hypertensive; Captopril; ACE Inhibitor
Full text article in PDF:
Copyright information:
Copyright © 2023 Author(s) retain the copyright of this article. This article is published under the terms of the Creative Commons Attribution Liscense 4.0