ESTUDO TEÓRICO E EXPERIMENTAL DE ESTRUTURA E REATIVIDADE RELACIONADO AO METABOLISMO E TOXICIDADE DO PARACETAMOL

THEORETICAL AND EXPERIMENTAL STUDY OF STRUCTURE AND REACTIVITY RELATED TO METABOLISM AND TOXICITY OF PARACETAMOL. An experimental and theoretical approach on oxidative metabolism of paracetamol was applied for the pharmaceutical chemistry learning. Classical reactions, functional group identificatio...

Full description

Saved in:
Bibliographic Details
Published inQuímica Nova Vol. 45; no. 9; pp. 1160 - 1166
Main Authors Borges, Rosivaldo, osta, Wanda S. C, Holanda, Luiz, Sousa, Alanna, Vale, Joyce, Alves, Cláudio N., Silva, Albérico, Gurrão, Ellen
Format Journal Article
LanguageEnglish
Published Sociedade Brasileira de Química 01.12.2022
Online AccessGet full text

Cover

More Information
Summary:THEORETICAL AND EXPERIMENTAL STUDY OF STRUCTURE AND REACTIVITY RELATED TO METABOLISM AND TOXICITY OF PARACETAMOL. An experimental and theoretical approach on oxidative metabolism of paracetamol was applied for the pharmaceutical chemistry learning. Classical reactions, functional group identification, structural parameter, and chemical reactivity using frontier orbitals and Fukui index were used explaining the main products between N-acetyl-p-benzosemiquinone (NAPQI) and thiolic compounds. The chemoprotection mechanisms by N-acetyl-cysteine on high dosage of paracetamol are consistent with theoretical and experimental results. The methods also described the relationship between the chemical reactivity of quinone-imine system and the induced-toxicity of paracetamol by Michael reaction. These results can be applied in experimental pharmaceutical chemistry teaching
ISSN:0100-4042
0100-4042
1678-7064
DOI:10.21577/0100-4042.20170927