THE SCREENING IN SILICO OF POTENTIAL 11-HYDROXYSTEROIDDEHYDROGENASE 1 INHIBITORS

Authors

  • Lipson V. V. SI «V. Danilevsky Institute for Endocrine Pathology Problems of the NAMS of Ukraine», Kharkiv, Ukraine; SSI «NTK «Institute for Single Crystals» of NAS of Ukraine», Kharkiv
  • Borodina V. V. SI «V. Danilevsky Institute for Endocrine Pathology Problems of the NAMS of Ukraine», Kharkiv, Ukraine
  • Redkin R. G. National Pharmaceutical University, Kharkiv
  • Svetlichnaya N. V. SI «V. Danilevsky Institute for Endocrine Pathology Problems of the NAMS of Ukraine», Kharkiv, Ukraine
  • Zubatyuk T. A. SSI «NTK «Institute for Single Crystals» of NAS of Ukraine», Kharkiv

DOI:

https://doi.org/10.21856/j-PEP.2016.1.08

Keywords:

molecular docking, 11β-hydroxysteroiddehydrogenase, spiro(pyrrolidin-3,2’- oxindoles), and anti-diabetic properties

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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Published

2021-08-18

How to Cite

Lipson, V. V. ., Borodina, V. V. ., Redkin, R. G. ., Svetlichnaya, N. V. ., & Zubatyuk, T. A. . (2021). THE SCREENING IN SILICO OF POTENTIAL 11-HYDROXYSTEROIDDEHYDROGENASE 1 INHIBITORS. Problems of Endocrine Pathology, 55(1), 56-62. https://doi.org/10.21856/j-PEP.2016.1.08