Please use this identifier to cite or link to this item: http://www.repositorio.ufop.br/handle/123456789/11015
Title: In silico and in vitro prediction of gastrointestinal absorption from potential drug eremantholide C.
Authors: Caldeira, Tamires Guedes
Guimarães, Dênia Antunes Saúde
Dezani, André Bersani
Serra, Cristina Helena dos Reis
Souza, Jacqueline de
Keywords: Parallel artificial membrane permeability assay
Solubility
Permeability
shake-flask
Issue Date: 2018
Citation: CALDEIRA, T. G. et al. In silico and in vitro prediction of gastrointestinal absorption from potential drug eremantholide C. Journal of Pharmacy and Pharmacology, v. 69, p. 1468-1476, 2017. Disponível em: <https://onlinelibrary.wiley.com/doi/full/10.1111/jphp.12783>. Acesso em: 25 fev. 2019.
Abstract: Objectives 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.
URI: http://www.repositorio.ufop.br/handle/123456789/11015
metadata.dc.identifier.uri2: https://onlinelibrary.wiley.com/doi/full/10.1111/jphp.12783
ISSN: 20427158
Appears in Collections:DEFAR - Artigos publicados em periódicos

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