4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor.

@article{Krasowski20024DQSARAO,
  title={4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor.},
  author={Matthew D. Krasowski and Xuan Hong and Anton J. Hopfinger and Neil L. Harrison},
  journal={Journal of medicinal chemistry},
  year={2002},
  volume={45 15},
  pages={3210-21}
}
A training set of 27 propofol (2,6-diisopropylphenol) analogues was used to construct four-dimensional (4D) quantitative structure-activity relationship (QSAR) models for three screens of biological activity: loss of righting reflex (LORR) in tadpoles, enhancement of agonist activity at the gamma-aminobutyric acid type A (GABA(A)) receptor, and direct (agonist-independent) activation of the receptor. The three resulting 4D-QSAR models are almost identical in form, and all suggest three key… CONTINUE READING
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