| Texto completo | |
| Autor(es): |
Matos dos Santos, Carlos E.
[1, 2]
;
de Paiva, Fernanda C. R.
[2]
;
Dorta, Daniel Junqueira
[3]
;
de Oliveira, Danielle Palma
[1]
Número total de Autores: 4
|
| Afiliação do(s) autor(es): | [1] Univ Sao Paulo, Sch Pharmaceut Sci Ribeirao Preto, Ribeirao Preto, SP - Brazil
[2] Altox Ltda, Sao Paulo, SP - Brazil
[3] Univ Sao Paulo, Fac Philosophy Sci & Letters Ribeirao Preto, Dept Chem, Ribeirao Preto, SP - Brazil
Número total de Afiliações: 3
|
| Tipo de documento: | Artigo Científico |
| Fonte: | Journal of Molecular Structure; v. 1246, DEC 15 2021. |
| Citações Web of Science: | 0 |
| Resumo | |
A computational investigation into pregabalin lactamization has been recently published, confirming that the reaction depends on pH and allowing a reasonable pathway for the formation of the impurity pregabalin lactam (prega-L) to be proposed. However, without proof or regulatory criteria, that investigation assumed that the impurity pregabalin lactam (prega-L) has high toxicity potential, which is worrisome. The present communication reports on the preliminary assessment of the prega-L toxicity by computational methods. The principles outlined in the ICH guidance M7 are followed, and statistics-and rule based methodologies ( in silico models) are used; the mutagenicity potential is considered as endpoint, and implications for qualifying this impurity in drug substances and/or drug products are discussed. (c) 2021 Elsevier B.V. All rights reserved. (AU) | |
| Processo FAPESP: | 16/08322-5 - Virtual InSilicoTox: plataforma de triagem toxicológica in silico em tempo real e interface com laboratório virtual como método alternativo ao uso de animais |
| Beneficiário: | Carlos Eduardo Matos dos Santos |
| Modalidade de apoio: | Auxílio à Pesquisa - Pesquisa Inovativa em Pequenas Empresas - PIPE |