Predicting the potential toxicity of 26 components in Cassiae semen using in silico and in vitro approaches.
Curr Res Toxicol
; 2: 237-245, 2021.
Article
en En
| MEDLINE
| ID: mdl-34345866
ABSTRACT
Cassiae semen are dried and ripe seeds of Cassia obtusifolia L. or Cassia tora L. (Fabaceae) and have been made into roasted tea or used as a traditional medicine in Asian countries. However, it was reported to result in liver and renal toxicity. The components of Cassiae semen that induce hepatotoxicity or nephrotoxicity remain unknown. In the present study, we evaluate the potential toxicity of 26 newly isolated compounds from Cassiae semen using quantitative structure-activity relationship (QSAR) methods and co-culture of hepatic and renal cell approaches, and we aim to illustrate the relationship between the structural characteristics and cytotoxicity by general linear models (GLMs). Both the QSAR models and co-culture of hepatic and renal cell systems predicted that 6 compounds were potentially hepatotoxic, 10 compounds were potentially nephrotoxic, and specific anthraquinones and anthraquinone-glucosides were potential toxicants in Cassiae semen. Specific groups such as -OH and -OCH3 at the R1, R2, R3, and R7 positions influenced the cytotoxicity.
AQ, Anthraquinone; Anthraquinone; C. semen, Cassiae semen; CYP, Cytochrome P450; Cassiae semen; GLM, General linear models; IdMOC system; IdMOC, Integrated discrete multiple organ co-culture; MTT, 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide; QSAR models; QSAR, Quantitative structure-activity relationship; TCM, Traditional Chinese medicine
Texto completo:
1
Banco de datos:
MEDLINE
Tipo de estudio:
Prognostic_studies
/
Risk_factors_studies
Idioma:
En
Revista:
Curr Res Toxicol
Año:
2021
Tipo del documento:
Article
País de afiliación:
China