Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate Pregnane Xenobiotic Receptor Activation
收藏Figshare2020-03-04 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Smallest_Maximum_Intramolecular_Distance_A_Novel_Method_to_Mitigate_Pregnane_Xenobiotic_Receptor_Activation/11990790
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资源简介：
Induction of cytochrome P450 isoform 3A4 via activation of the pregnane xenobiotic receptor (PXR) is a concern for pharmaceutical discovery and development, as it can lead to drug–drug interactions. We present a novel molecular descriptor, the smallest maximum intramolecular distance (SMID), which is correlated with PXR activation, and a method for using the SMID descriptor to guide discovery chemists in modifying lead compounds to decrease PXR activation.
创建时间：
2020-03-04
