AVALIAÇÃO DE PROPRIEDADES ADME/TOX IN SILICO E IN VITRO DE PRODUTOS NATURAIS ATRAVÉS DOS MODELOS PAMPA TGI E PAMPA BHE
AVALIAÇÃO DE PROPRIEDADES ADME/TOX IN SILICO E IN VITRO DE PRODUTOS NATURAIS ATRAVÉS DOS MODELOS PAMPA TGI E PAMPA BHE
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DOI: https://doi.org/10.22533/at.ed.445172411207
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Palavras-chave: Farmacocinética, ADME/Tox, permeabilidade, PAMPA TGI, PAMPA BHE.
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Keywords: Pharmacokinetics, ADME/Tox, permeability, PAMPA GIT, PAMPA BBB.
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Abstract: Lipid membranes act as biological barriers involving a diverse set of physicochemical and biochemical processes in the human body. In pharmacokinetics, transmembrane permeation is directly related to drug absorption and its action on the desired target. Increasing the probability of success in the research and development of new drugs, to be administered by different routes, is closely linked to the evaluation of characteristics related to their permeability through biological membranes. In this context, the present study aimed to evaluate in vitro the apparent passive transmembrane permeability of a dihydrostyrylpyrone (1), a styrylpyrone (2) and a xanthone (3), obtained from Polygala altomontana and Polygala densiracemosa, respectively. The tests were performed according to the methodology described by Wohnsland et al. (2001) with adaptations. In the model mimicking intestinal permeability (PAMPA TGI), the lipid used was 1% phosphatidylcholine (w/v) in dodecane; to mimic the blood-brain barrier (PAMPA BBB), PBL (Porcine Brain Lipid) at 1% (w/v) in dodecane was used. The best permeability was observed for dihydrostyrylpyrone (1) with apparent permeability (Papp) of 1.02 x 10 -5 cm s -1 and 2.83% membrane retention (MR) in the PAMPA TGI model and Papp of 4.14 x 10 -6 cm s -1 and MR of 54.88% in the PAMPA BBB model. These results demonstrate that compound 1 has research potential in models of activity in the central nervous system, although permeation to the BBB is lower than the intestinal barrier, due to its greater selectivity. Styrylpyrone 2 showed a TGI Papp of 4.93 x 10 -6 cm s -1 and a MR of 9.52%; BBB Papp of 5.06 x 10 -6 cm s-1 and MR of 7.13%; the lower permeability of compound 2 in relation to 1 may be related to its lower Log P observed in silico. Xanthone (3) showed a TGI Papp of 4.26 x 10 -7 cm s -1 and a MR of 11.86% and a BBB Papp of 5.37 x 10 -7 cm s -1 and a MR of 16.06%, demonstrating the lowest permeation among the compounds evaluated. This is justified due to its lower lipophilicity.
- Tiago Tizziani
- Dienifer Kaline Heiss
- Bruno Henrique de Villa Kraus