Análisis Comparativo Integral de Carbidopa y Levodopa: Perspectivas Moleculares en Base a la Química Cuántica y Tratamiento de Parkinson

The comprehensive comparative analysis of Carbidopa (CBD) and Levodopa (LVP) in the management of Parkinson's disease (PD) has been the subject of multiple studies, ranging from their therapeutic interventions to their pharmacokinetic profiles. The objective of this study was to comprehensively and comparatively analyze CBD and LVD using molecular perspectives based on quantum chemistry. All molecules in question were designed using Hyperchem software. Quantum calculations were then performed using the semiempirical SE-PM3 method. The Polak-Rebiere algorithm was used to optimize the geometry of the molecule and search for the minimum formation energy. The results identify molecular combinations with neuroprotective potential, providing a basis for the rational design of redox therapies for neurological diseases. In conclusion, CBD does potentiate LVD as the gold standard therapy for Parkinson's disease.

Publication Details

Journal
Dialnet (Universidad de la Rioja)
Published
2025-01-01
Primary Topic
Geological and Geochemical Analysis
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article
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article

Análisis Comparativo Integral de Carbidopa y Levodopa: Perspectivas Moleculares en Base a la Química Cuántica y Tratamiento de Parkinson

Dialnet (Universidad de la Rioja)
Geological and Geochemical Analysis
article

Análisis Comparativo Integral de Carbidopa y Levodopa: Perspectivas Moleculares en Base a la Química Cuántica y Tratamiento de Parkinson

article en

Abstract

The comprehensive comparative analysis of Carbidopa (CBD) and Levodopa (LVP) in the management of Parkinson's disease (PD) has been the subject of multiple studies, ranging from their therapeutic interventions to their pharmacokinetic profiles. The objective of this study was to comprehensively and comparatively analyze CBD and LVD using molecular perspectives based on quantum chemistry. All molecules in question were designed using Hyperchem software. Quantum calculations were then performed using the semiempirical SE-PM3 method. The Polak-Rebiere algorithm was used to optimize the geometry of the molecule and search for the minimum formation energy. The results identify molecular combinations with neuroprotective potential, providing a basis for the rational design of redox therapies for neurological diseases. In conclusion, CBD does potentiate LVD as the gold standard therapy for Parkinson's disease.

Dialnet (Universidad de la Rioja)
Openalex Percentile: Top 45%
Geological and Geochemical Analysis
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