In silico and in vitro prediction of gastrointestinal absorption from potential drug eremantholide C.

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MetadadosDescriçãoIdioma
Autor(es): dc.creatorCaldeira, Tamires Guedes-
Autor(es): dc.creatorGuimarães, Dênia Antunes Saúde-
Autor(es): dc.creatorDezani, André Bersani-
Autor(es): dc.creatorSerra, Cristina Helena dos Reis-
Autor(es): dc.creatorSouza, Jacqueline de-
Data de aceite: dc.date.accessioned2025-08-21T15:48:16Z-
Data de disponibilização: dc.date.available2025-08-21T15:48:16Z-
Data de envio: dc.date.issued2019-04-15-
Data de envio: dc.date.issued2019-04-15-
Data de envio: dc.date.issued2018-
Fonte completa do material: dc.identifierhttp://www.repositorio.ufop.br/handle/123456789/11015-
Fonte completa do material: dc.identifierhttps://onlinelibrary.wiley.com/doi/full/10.1111/jphp.12783-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1024479-
Descrição: dc.descriptionObjectives Analysis of the biopharmaceutical properties of eremantholide C, sesquiterpene lactone with proven pharmacological activity and low toxicity, is required to evaluate its potential to become a drug. Methods Preliminary analysis of the physicochemical characteristics of eremantholide C was performed in silico. Equilibrium solubility was evaluated using the shake‐flask method, at 37.0 °C, 100 rpm during 72 h in biorelevant media. The permeability was analysed using parallel artificial membrane permeability assay, at 37.0 °C, 50 rpm for 5 h. The donor compartment was composed of an eremantholide C solution in intestinal fluid simulated without enzymes, while the acceptor compartment consisted of phosphate buffer. Key findings Physicochemical characteristics predicted in silico indicated that eremantholide C has a low solubility and high permeability. In‐vitro data of eremantholide C showed low solubility, with values for the dose/solubility ratio (ml): 9448.82, 10 389.61 e 15 000.00 for buffers acetate (pH 4.5), intestinal fluid simulated without enzymes (pH 6.8) and phosphate (pH 7.4), respectively. Also, it showed high permeability, with effective permeability of 30.4 × 10−6 cm/s, a higher result compared with propranolol hydrochloride (9.23 × 10−6 cm/s). Conclusions The high permeability combined with its solubility, pharmacological activity and low toxicity demonstrate the importance of eremantholide C as a potential drug candidate.-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Direitos: dc.rightsrestrito-
Palavras-chave: dc.subjectParallel artificial membrane permeability assay-
Palavras-chave: dc.subjectSolubility-
Palavras-chave: dc.subjectPermeability-
Palavras-chave: dc.subjectshake-flask-
Título: dc.titleIn silico and in vitro prediction of gastrointestinal absorption from potential drug eremantholide C.-
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