In-silico design of new enalapril analogs (ACE inhibitors) using QSAR and molecular docking models

Angiotensin-converting-enzyme inhibitors (ACEI) are a group of drugs primarily used in the treatment of cardiovascular disease. In this study, MLR and PLS QSAR models were developed to evaluate the antihypertensive activity of new enalapril analogs, while binding affinities between each analog and A...

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Bibliographic Details
Main Authors: Jhon Alex Gonzalez Amaya, Daniella Zambrano Cabrera, Alejandra Mojica Matallana, Karen González Arevalo, James Guevara-Pulido
Format: Article
Language:English
Published: Elsevier 2020-01-01
Series:Informatics in Medicine Unlocked
Subjects:
MLR
PLS
Online Access:http://www.sciencedirect.com/science/article/pii/S2352914820300149