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Cytochrome P-450 CYP3A

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Factors involved in phenoconversion of CYP3A using 4β-hydroxycholesterol in stable kidney transplant recipients.

Pharmacological reports : PR
BACKGROUND: Phenoconversion is a phenomenon whereby some genotypic extensive metabolizers transiently exhibit drug metabolizing enzyme activity at similar level as that of poor metabolizers. Renal failure is known to decrease CYP3A activity in humans...

Significance of Data Selection in Deep Learning for Reliable Binding Mode Prediction of Ligands in the Active Site of CYP3A4.

Chemical & pharmaceutical bulletin
For rational drug design, it is essential to predict the binding mode of protein-ligand complexes. Although various machine learning-based models have been reported that use convolutional neural networks (deep learning) to predict binding modes from ...

Prediction of clinically relevant drug-induced liver injury from structure using machine learning.

Journal of applied toxicology : JAT
Drug-induced liver injury (DILI) is the most common cause of acute liver failure and often responsible for drug withdrawals from the market. Clinical manifestations vary, and toxicity may or may not appear dose-dependent. We present several machine-l...

Artificial neural network model for predicting the bioavailability of tacrolimus in patients with renal transplantation.

PloS one
The objective of the current study was to explore the role of ABCB1 and CYP3A5 genetic polymorphisms in predicting the bioavailability of tacrolimus and the risk for post-transplant diabetes. Artificial neural network (ANN) and logistic regression (L...