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1.
Bioorg Chem ; 98: 103705, 2020 05.
Artigo em Inglês | MEDLINE | ID: mdl-32171992

RESUMO

Genotoxic agents are capable of causing damage to genetic material and the cumulative DNA damage causes mutations, involved in the development of various pathological conditions, including cancer. Antigenotoxic agents possess the potential to counteract these detrimental cellular modifications and may aid in preventing, delaying, or decreasing the severity of these pathological conditions. An important class of natural products for which promising antigenotoxic activities have already been shown, are the flavonoids. In this research, we investigated the quantitative structure-activity relationship (QSAR) of flavonoids and their antigenotoxic activity against benzo[a]pyrene (B[a]P) and its mutagenic metabolite B[a]P-7,8-diol-9,10-epoxide-2. Random Forest classification models were developed, which could be useful as a preliminary in silico evaluation tool, before performing in vitro or in vivo experiments. The descriptors G2S and R8s. were the most significant for predicting the antigenotoxic potential.


Assuntos
Benzo(a)pireno/antagonistas & inibidores , DNA Bacteriano/efeitos dos fármacos , Desenvolvimento de Medicamentos , Flavonoides/farmacologia , Salmonella typhimurium/efeitos dos fármacos , Dano ao DNA , DNA Bacteriano/genética , Relação Dose-Resposta a Droga , Flavonoides/síntese química , Flavonoides/química , Modelos Moleculares , Estrutura Molecular , Relação Quantitativa Estrutura-Atividade , Salmonella typhimurium/genética
2.
Toxics ; 10(5)2022 May 18.
Artigo em Inglês | MEDLINE | ID: mdl-35622673

RESUMO

The unique physicochemical properties of silver nanoparticles (AgNPs) make them useful in a wide range of sectors, increasing their propensity for human exposure, as well as the need for thorough toxicological assessment. The biodistribution of silver, hematological parameters and GSH/GSSG levels in the lung and liver were studied in mice that were intratracheally instilled with AgNP (5 and 50 nm) and AgNO3 once a week for 5 weeks, followed by a recovery period of up to 28 days (dpi). Data was gathered to build a PBPK model after the entry of AgNPs into the lungs. AgNPs could be absorbed into the blood and might cross the physiological barriers and be distributed extensively in mice. Similar to AgNO3, AgNP5 induced longer-lasting toxicity toward blood cells and increased GSH levels in the lung. The exposure to AgNP50 increased the GSH from 1 dpi onward in the liver and silver was distributed to the organs after exposure, but its concentration decreased over time. In AgNP5 treated mice, silver levels were highest in the spleen, kidney, liver and blood, persisting for at least 28 days, suggesting accumulation. The major route for excretion seemed to be through the urine, despite a high concentration of AgNP5 also being found in feces. The modeled silver concentration was in line with the in vivo data for the heart and liver.

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