LQFM289: caracterização eletroquímica e computacional de um novo análogo da trimetozina para o tratamento da ansiedade
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2024-12-21
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Universidade Federal de Goiás
Resumo
This study employs electrochemical and Density Functional Theory (DFT) calculation
approaches to investigate the potential of a novel analogue of trimetozine (TMZ)
antioxidant profile. The correlation between oxidative stress and psychological
disorders indicates that antioxidants may be an effective alternative treatment option.
Butylatedhydroxytoluene (BHT) is a synthetic antioxidant widely used in industry. The
BHT-TMZ compound derived from molecular hybridization, known as LQFM289
(Cabral et al., 2023), has shown promising results in early trials, and this study aims to
elucidate its electrochemical properties to further support its potential as a therapeutic
agent. The electrochemical behavior of LQFM289 was investigated using cyclic
voltammetry (CV), square wave voltammetry (SWV), and differential pulse
voltammetry (DPV), and a mechanism for the redox process was proposed based on
the compound’s behavior. LQFM289 exhibits two distinct oxidation peaks: the first
peak, (Ep1a ≈ 0.49V), corresponds to the oxidation of the phenolic fraction (BHT), and
the second peak, (Ep2a ≈ 1.2 V vs. Ag/AgCl/KClsat), denotes the oxidation of the amino
group from morpholine.Electroanalysis was used to identify the redox potentials of the
compound, providing insight into its reactivity and stability in different environments. A
redox mechanism was proposed based on the resulting peak potentials. The DFT
calculation elucidates the electronic structure of LQFM289, resembling the precursors
of molecular hybridization (BHT and TMZ), which may also dictate the pharmacophoric
performance.
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COSTA, A. G. C. LQFM289: Caracterização eletroquímica e computacional de um novo análogo da trimetozina para o tratamento da ansiedade. 2023. 62 f. Dissertação (Mestrado em Ciências Farmacêuticas) - Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, 2023.