Undergraduate Student (In the group during 2017-2018)
University of Talca, Faculty of Engineering
Héctor studied ‘Engineering in Bioinformatics’. He made the project ‘Computational design of selective angiotensin-converting enzyme (ACE) inhibitors by modifying non-selective drugs’. In this project, he had to modify (in silico) non-selective ACE inhibitors such as trandolaprilat, benazeprilat, and cilazaprilat by adding linear alkyl chains with different lengths and charged groups at the end. In theory, these changes could provide selective derivatives. He docked the designed drugs inside the N- and C- domain ACE binding sites, and he explored their stability by using Molecular Dynamics and MM/GBSA calculations.