Abstract
Cytochrome P450s (CYPs) are a superfamily of human enzymes predominantly involved in the metabolism of drugs, xenobiotics, and many endogenous substrates. Assessing the inhibitory effect investigational new drugs exert on CYPs is essential because inhibition may lead to toxicity due to drug accumulation and/or adverse drug-drug interactions. Inhibition is initially predicted using adult-relevant in silico models (e.g., QSAR/QSIR, 3D pharmacophores, etc.). These models are based upon data obtained from previous in vitro high-throughput screening results.
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