Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs

  • J Med Chem. 2007 Oct 18;50(21):5103-8. doi: 10.1021/jm070516u.
Jos H M Lange  1 ,  Jan-Hendrik Reinders ,  Jeroen T B M Tolboom ,  Jeffrey C Glennon ,  Hein K A C Coolen ,  Chris G Kruse
Affiliations
  • 1. Solvay Pharmaceuticals, Research Laboratories, C. J. van Houtenlaan 36, 1381 CP Weesp, The Netherlands. [email protected]
PMID: 17880057 DOI: 10.1021/jm070516u
Abstract

The receptor binding affinities of the three drug candidates 1 (SLV310), 2 (SLV313), and 3 (SLV314) were positioned against the results from nine (a)typical antipsychotic drugs. The receptor binding data from sixteen monoaminergic receptors served as the input in a principal component analysis (PCA). The PCA outcome revealed a unique binding profile of 1, 2, and 3 as compared with the reference compounds 4-8 and 10-12. The weight gain inducing antipsychotics 6-8 clustered in the PCA by scoring strongly negative for factor 1. The hyperprolactinaemia related antipsychotics 4, 5, 10, and 12 clustered by their negative scores for factor 2.

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