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Purpose To predict and determine whether the protease inhibitors (PIs) nelfinavir, amprenavir, atazanavir, ritonavir, and saquinavir could serve as metabolic inhibitors of the human CES1 (hCES1) using both molecular modeling techniques and in vitro inhibition assays. Methods Initially, a molecular modeling approach was utilized to predict whether the selected PIs could serve as hCES1 inhibitors...
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