DFT Study of the Interaction Mechanisms of Clopidogrel and Clonidine Drugs

Authors

  • Breyner Ocampo Cárdenas Universidad Tecnológica Nacional, Facultad Regional Bahía Blanca. Bahía Blanca, Argentina.
  • Gabriela Dodero Universidad Tecnológica Nacional, Facultad Regional Bahía Blanca. Bahía Blanca, Argentina. & Universidad Nacional del Sur, Departamento de Física, Instituto de Física del Sur & CONICET. Bahía Blanca, Argentina.
  • Emilia Noseda Grau Universidad Tecnológica Nacional, Facultad Regional Bahía Blanca. Bahía Blanca, Argentina. & Universidad Nacional del Sur, Departamento de Física, Instituto de Física del Sur & CONICET. Bahía Blanca, Argentina.
  • Sandra Simonetti Universidad Tecnológica Nacional, Facultad Regional Bahía Blanca. Bahía Blanca, Argentina. & Universidad Nacional del Sur, Departamento de Física, Instituto de Física del Sur & CONICET. Bahía Blanca, Argentina.

DOI:

https://doi.org/10.70567/mc.v41i22.117

Keywords:

DFT, clopidogrel, clonidine

Abstract

In this study, interactions between the clopidogrel and clonidine drugs are investigated. Clonidine treats high blood pressure by slowing the heart rate and relaxing blood vessels so blood can flow more easily through the body. Clopidogrel is an antiplatelet agent that inhibits clot formation in coronary artery disease, peripheral vascular disease, and cerebrovascular disease. These drugs administered in combination can improve the treatment of high blood pressure. Active sites of the active ingredient (API) of clopidogrel and clonidine are identified. The analysis focuses on the energetic, electronic properties and the interaction mechanisms between the drugs. To carry out this study, Gaussian 09 software is used. The analysis provides valuable information for their potential application in the development of cardiovascular polypills.

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Published

2024-11-08

Issue

Section

Conference Papers in MECOM 2024