In silico pharmacokinetic and toxicological study of Cinnamic Acid analogues: Estudo farmacocinético e toxicológico in silico de análogos do Ácido Cinâmico
Cinnamic acid analogs are natural phenolic compounds that have a wide range of biological and therapeutic activities. The present work aimed to predict, through in silico methodologies, the oral bioavailability and pharmacokinetic and toxicological analyzes for four cinnamic acid analogues (caffeic...
| Autores: | , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2022 |
| País: | Brasil |
| Institución: | Instituto Superior de Educação Vera Cruz (VeraCruz) |
| Repositorio: | Revista Veras |
| Idioma: | inglés |
| OAI Identifier: | oai:ojs2.ojs.brazilianjournals.com.br:article/55769 |
| Acceso en línea: | https://ojs.brazilianjournals.com.br/ojs/index.php/BRJD/article/view/55769 |
| Access Level: | acceso abierto |
| Palabra clave: | natural products Phenylpropanoids Cinnamic Acid chemoinformatics in silico ADME in silico toxicology |
| Sumario: | Cinnamic acid analogs are natural phenolic compounds that have a wide range of biological and therapeutic activities. The present work aimed to predict, through in silico methodologies, the oral bioavailability and pharmacokinetic and toxicological analyzes for four cinnamic acid analogues (caffeic acid, ferulic acid, p-coumaric acid and synaptic acid). The study revealed that the analogues have good oral bioavailability, favorable pharmacokinetic and toxicological parameters. The Virtual Screening performed to predict oral bioavailability indicated that all analogues do not violate Lipinski's Rule. The in silico ADME study of pharmacokinetic parameters showed that all derivatives have high intestinal absorption, are permeable by Caco-2 cells, do not cross the blood-brain barrier, do not inhibit P-glycoprotein. There will be no inhibition of the cytochrome P450 complex isoenzymes (CYP450). The in silico Toxicological study revealed that the analogues do not have toxicity by the AMES Test, are not carcinogenic and do not present acute oral toxicity. |
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