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• W1964935486 abstract "A general toxicity of basic drugs is related to phospholipidosis in tissues. Therefore, it is essential to predict the tissue distribution of basic drugs to facilitate an initial estimate of that toxicity. The objective of the present study was to further assess the original prediction method that consisted of using the binding to red blood cells measured in vitro for the unbound drug (RBCu) as a surrogate for tissue distribution, by correlating it to unbound tissue:plasma partition coefficients (Kpu) of several tissues, and finally to predict volume of distribution at steady-state (Vss) in humans under in vivo conditions. This correlation method demonstrated inaccurate predictions of Vss for particular basic drugs that did not follow the original correlation principle. Therefore, the novelty of this study is to provide clarity on the actual hypotheses to identify i) the impact of pharmacological mode of action on the generic correlation of RBCu–Kpu, ii) additional mechanisms of tissue distribution for the outlier drugs, iii) molecular features and properties that differentiate compounds as outliers in the original correlation analysis in order to facilitate its applicability domain alongside the properties already used so far, and finally iv) to present a novel and refined correlation method that is superior to what has been previously published for the prediction of human Vss of basic drugs. Applying a refined correlation method after identifying outliers would facilitate the prediction of more accurate distribution parameters as key inputs used in physiologically based pharmacokinetic (PBPK) and phospholipidosis models." @default.
• W1964935486 created "2016-06-24" @default.
• W1964935486 creator A5042055893 @default.
• W1964935486 creator A5051609996 @default.
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• W1964935486 date "2011-01-01" @default.
• W1964935486 modified "2023-10-18" @default.
• W1964935486 title "A hybrid approach to advancing quantitative prediction of tissue distribution of basic drugs in human" @default.
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• W1964935486 doi "https://doi.org/10.1016/j.taap.2010.10.014" @default.
• W1964935486 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21034759" @default.
• W1964935486 hasPublicationYear "2011" @default.
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