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Interactive multivariate analysis of bisindolylmaleimides as potent protein kinase C antagonists
1Institute of Pharmacology and Toxicology, University of Leipzig, Germany.
Abstract:
The isoenzyme protein kinase C (PKC) inhibitory activity of substituted bisindolylmaleimides depends on the molecular weight, the total charge, and dipole moments. The validity of the resulting QSAR equation was investigated by interactive diagnostic statistics and multivariate simultaneous statistical inference. Molecular mechanics and dynamics can be used to study possible reasons of flagged observations (high-leverage points, influential data, outliers) of QSAR systems.