2016•PROBLEMS OF ENDOCRINE PATHOLOGYOpen access
THE SCREENING IN SILICO OF POTENTIAL 11-HYDROXYSTEROIDDEHYDROGENASE 1 INHIBITORS
В. В. Липсон, V. V. Borodina, Ruslan Gr. Redkin, Nataliya V. Svetlichnaya, T. A. Zubatyuk
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Abstract
It was conducted the virtual screening by molecular docking with the program AutoDoc 4.2. for 27 000 structures of nitrogen and sulfur containing heterocyclic compounds has been carried out in order to identify of the enzyme 11β-hydroxysteroiddehydrogenase (11β-HSD1) inhibitors among them. It was established that spiro(pyrrolidin-3,2’-oxindoles), molecules of which have the residues of sulfurcontaining amino acids have been demonstrated in silico the greatest affinity to the specified target. We concluded of the expediency of these substances synthesis, and their anti-diabetic properties were experimentally estimated
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