Electrochemical Characterization of Central Action Tricyclic Drugs by Voltammetric Techniques and Density Functional Theory Calculations
| Autor: | Douglas Vieira Thomaz, Fabio Bahls Machado, Karla Carneiro de Siqueira Leite, Edson Silvio Batista Rodrigues, Carlos Eduardo Peixoto da Cunha, Morgana Fernandes Alecrim, Vernon Somerset, Larissa Lesley da Silva Lima, Mayk Teles de Oliveira, Nara Ballaminut, Eric de Souza Gil, Murilo Ferreira de Carvalho, Bruna Guimarães Isecke, Isaac Yves Lopes de Macêdo, Ricardo Menegatti, Freddy Fernandes Guimarães |
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| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
lcsh:Medicine
lcsh:RS1-441 Pharmaceutical Science 02 engineering and technology Electronic structure 010402 general chemistry Electrochemistry 01 natural sciences Redox Article lcsh:Pharmacy and materia medica cyclobenzaprine Computational chemistry Drug Discovery Molecule Moiety Conformational isomerism Chemistry lcsh:R oxidation mechanism 021001 nanoscience & nanotechnology electronic structure computational chemistry 0104 chemical sciences electrochemistry Molecular Medicine Amine gas treating Density functional theory 0210 nano-technology |
| Zdroj: | Pharmaceuticals Volume 12 Issue 3 Pharmaceuticals, Vol 12, Iss 3, p 116 (2019) |
| ISSN: | 1424-8247 |
| Popis: | This work details the study of the redox behavior of the drugs cyclobenzaprine (CBP), amitriptyline (AMP) and nortriptyline (NOR) through voltammetric methods and computational chemistry. Results obtained in this study show that the amine moiety of each compound is more likely to undergo oxidation at 1a at Ep1a &asymp 0.69, 0.79, 0.93 V (vs. Ag/AgCl/KClsat) for CBP, AMP and NOR, respectively. Moreover, CBP presented a second peak, 2a at Ep2a &asymp 0.98 V (vs. Ag/AgCl/KClsat) at pH 7.0. Furthermore, the electronic structure calculation results corroborate the electrochemical assays regarding the HOMO energies of the lowest energy conformers of each molecule. The mechanism for each anodic process is proposed according to electroanalytical and computational chemistry findings, which show evidence that the methods herein employed may be a valuable alternative to study the redox behavior of structurally similar drugs. |
| Databáze: | OpenAIRE |
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