Biopharmaceutic classification of drugs revisited

Daousani, Chrysa; Macheras, Panos

doi:10.1016/j.ejps.2016.08.001

Cited by 8 publications

(7 citation statements)

References 55 publications

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“…According to the BSC classification and following the Bagley's grouping criteria, all target compounds have been assigned to Groups 2 and 3 (Figure ). As described in the literature (BSC), ziprasidone and aripiprazole have the absorption profiles of Group 2 (Class 2) as compounds characterized by traveling through GIT, which remains in agreement with our prediction profile. Aripiprazole belongs to Group 3 as a compound that travels along an entire GIT with the duration of the absorption process higher than 10 hours.…”

Section: Resultssupporting

confidence: 91%

“…With an aim to predict the in vivo pharmacokinetic properties of drugs, the Food and Drug Administration set up the Biopharmaceutical Classification System (BSC), which is based on measuring permeability and solubility. Biopharmaceutical Classification System classifies drugs into 4 classes and 2 groups. Class 1 is high solubility and high permeability, Class 2 is low solubility and low permeability, Class 3 is high solubility and low permeability, and Class 4 is low solubility and low permeability.…”

Section: Introductionmentioning

confidence: 99%

“…Group 1 belongs to Class 1, which includes drugs that rapid absorb along the first part of jejunum. Contrary to Class 1, Group 2 can belong to Classes 2 to 4, characterizing with an incomplete absorption when passing GIT …”

Section: Introductionmentioning

confidence: 99%

“…According to the BSC criteria, ziprasidone and aripiprazole belong to Class 2 and Group 2, while for their impurities, there are no data available in the literature (Figure ). In the finished formulation (tablet) taken by the patients, one can find the impurities of the production and degradation process.…”

Section: Introductionmentioning

confidence: 99%

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Modeling of Hansen's solubility parameters of aripiprazole, ziprasidone, and their impurities: A nonparametric comparison of models for prediction of drug absorption sites

Obradović

Andrić

Zlatović

et al. 2018

Journal of Chemometrics

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Aripiprazole and ziprasidone are atypical antipsychotic drugs with the effect on positive and negative symptoms of schizophrenia, mania, and mixed states of bipolar disorder. Hansen's solubility parameters, δ d , δ p , and δ h , which account for dispersive, polarizable, and hydrogen bonding contributions to the overall cohesive energy of a compound, are often used to assess pharmacokinetic properties of drugs. However, no data exist of solubility parameters for the drugs of interest in this study. Therefore, in the present study, partial least square regression (PLS), artificial neural networks (ANNs), regression trees (RT), boosted trees (BT), and random forests (RF) were applied to estimate Hansen's solubility parameters of ziprasidone, aripiprazole, and their impurities/metabolic derivatives, targeting their biopharmaceutical classes and absorption routes. A training set of 47 structurally diverse and pharmacologically active compounds and 290 molecular descriptors and pharmaceutically important properties were used to build the prediction models. The modeling approaches were compared by the sum of ranking differences, using the consensus values as a reference for the unknowns and the experimentally determined values as a gold standard for the calibration set. In both instances, the PLS models, together with ANNs, demonstrated better performance than RT, BT and especially RF.Based on the best scored models, we were able to pinpoint the most probable absorption sites for each drug and the corresponding metabolite, i.e., the upper parts of the gastrointestinal tract, small intestine, or absorption along entire length of gastrointestinal tract. KEYWORDS artificial neural network (ANN), drug absorption, Hansen's solubility parameters, partial least square regression (PLS), sum of ranking difference (SRD)

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Section: Resultssupporting

confidence: 91%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Modeling of Hansen's solubility parameters of aripiprazole, ziprasidone, and their impurities: A nonparametric comparison of models for prediction of drug absorption sites

Obradović

Andrić

Zlatović

et al. 2018

Journal of Chemometrics

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show abstract

“…The BCS is based on the tube model of the intestinal lumen. This model considers constant drug permeability along the intestines, a plug flow fluid with the suspended drug particles moving with the fluid, and dissolution in the small particle limit [11]. The major advances associated with the BCS concern the extensive work on dissolution of poorly absorbed BCS class II drugs in nutritional liquids and biorelevant media for the accurate prediction of the rate and the extent of oral absorption [12].…”

Section: Introductionmentioning

confidence: 99%