Mode of action prediction of ligands of steroid hormone receptors

   
Fedyushkina I.V.1 , Romero Reyes I.V.1, Lagunin A.A.1, Skvortsov V.S.1

1. Orekhovich Institute of Biomedical Chemistry of Russian Academy of Medical Sciences
Section: Short Communication
DOI: 10.18097/pbmc20135905591      UDK: 544.165      PubMed Id: 24479350
Year: 2013  Volume: 59  Issue: 5  Pages: 591-599
The several predictive models based on two well-known methods PASS and SIMCA were created. These models predict a type of physiological response of steroid compounds binding to nuclear receptors of steroid hormones. We considered 10 variants: the agonists and the antagonists of estrogen, progesterone, androgen, glucocorticoid and mineralocorticoid receptors respectively. Two different sets of descriptors were used during SIMCA (the Dragon descriptors and indices of similarity). The results of discriminant analysis are good enough with average accuracy of 80-85%.
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Fedyushkina I.V., Romero Reyes I.V., Lagunin A.A., Skvortsov V.S. (2013) Biomeditsinskaya khimiya, 59(5), 591-599.
This paper is also available as the English translation:10.1134/S1990750814010041
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