Predictive binding of beta-carboline inverse agonists and antagonists via the CoMFA/GOLPE approach.

@article{Allen1992PredictiveBO,
  title={Predictive binding of beta-carboline inverse agonists and antagonists via the CoMFA/GOLPE approach.},
  author={Michael S Allen and A J LaLoggia and Lisa Dorn and M Justina Mart{\'i}n and Gabriele Costantino and T. H. J. J. van der Hagen and Konrad F. Koehler and Phil Skolnick and James M Cook},
  journal={Journal of medicinal chemistry},
  year={1992},
  volume={35 22},
  pages={4001-10}
}
The synthesis and affinities of six new 3-substituted beta-carbolines (6-10, 12) for the benzodiazepine receptor (BzR) are described. These analogs were used both to probe the dimensions of the hydrophobic pocket in the benzodiazepine receptor and to test the predictive ability of a previously reported 3D-QSAR regression model. Of the new analogs synthesized, the gamma-branched derivatives (isobutoxy, 7, IC50 = 93 nM; isopentoxy, 9, IC50 = 104 nM) display significantly higher affinity for the… CONTINUE READING

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