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- W2940600539 abstract "Transport proteins play a crucial role in drug distribution, disposition, and clearance by mediating cellular drug influx and efflux. Inhibition of these transporters may lead to drug-drug interactions or even drug-induced liver injury, such as cholestasis, which comprises a major challenge in drug development process. Thus, computer-based (in silico) models that can predict the pharmacological and toxicological profiles of these small molecules with respect to liver transporters may help in the early prioritization of compounds and hence may lower the high attrition rates. In this chapter, we provide a protocol for in silico prediction of cholestasis by generating validated predictive models. In addition to the two-dimensional molecular descriptors, we include transporter inhibition predictions as descriptors and evaluate the influence of the same on the performance of the cholestasis models." @default.
- W2940600539 created "2019-05-03" @default.
- W2940600539 creator A5014396881 @default.
- W2940600539 creator A5090000437 @default.
- W2940600539 date "2019-01-01" @default.
- W2940600539 modified "2023-09-25" @default.
- W2940600539 title "In Silico Approaches to Predict Drug-Transporter Interaction Profiles: Data Mining, Model Generation, and Link to Cholestasis" @default.
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- W2940600539 doi "https://doi.org/10.1007/978-1-4939-9420-5_26" @default.
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