Ensemble Docking Approach to Mitigate Pregnane X Receptor-Mediated CYP3A4 Induction Risk - Chen, Qi; Zhou, Xin; Rehmel, Jessica; Steele, James P.; Svensson, Kjell A.; Beck, James P.; Hembre, Erik J.; Hao, Junliang (Journal of chemical information and modeling, 2023)
Keywords: Binding; Computational Chemistry; Cytochrome P-450 CYP3A - metabolism; Docking; Dopamine; Enzyme Induction; Homology; Modulators; Pregnane X Receptor - metabolism; Receptors; Receptors, Steroid - chemistry; Receptors, Steroid - genetics; Receptors, Steroid - metabolism; Scaffolds