Discovery of a Highly Active Ligand of Human Pregnane X Receptor: A Case Study from Pharmacophore Modeling and Virtual Screening to “In Vivo” Biological Activity

The human orphan nuclear receptor PXR is activated by compounds that regulate CYP3A4 gene expression and cause drug interactions.

J�rgen Lehmann, David D. McKee, M. A. Watson et al. · Journal of Clinical Investigation · 1998 · 1.6K citations · Full text

Medicine, Molecular Biology, Pharmacology +14

Surflex:  Fully Automatic Flexible Molecular Docking Using a Molecular Similarity-Based Search Engine

Ajay N. Jain · Journal of Medicinal Chemistry · 2003 · 1.4K citations

Pharmacy, Bioinformatics, Medicinal Chemistry +17

SXR, a novel steroid and xenobioticsensing nuclear receptor

Bruce Blumberg, Walid Sabbagh, Henry Juguilon et al. · Genes & Development · 1998 · 920 citations · Full text

Life Sciences, Endocrinology, Molecular Biology +17

Regulation of Multidrug Resistance-associated Protein 2 (ABCC2) by the Nuclear Receptors Pregnane X Receptor, Farnesoid X-activated Receptor, and Constitutive Androstane Receptor

Heidi R. Kast-Woelbern, Bryan Goodwin, Paul T. Tarr et al. · Journal of Biological Chemistry · 2002 · 908 citations · Full text

Medicine, Molecular Biology, Pharmacology +17

Identification of a human nuclear receptor defines a new signaling pathway for <i>CYP</i> <i>3</i> A induction

Göran Bertilsson, Jessica Heidrich, Kristian Svensson et al. · Proceedings of the National Academy of Sciences · 1998 · 871 citations · Full text

Medicine, Molecular Biology, Pharmacology +15