New C15-substituted active vitamin D3

Org Lett. 2011 Jun 3;13(11):2852-5. doi: 10.1021/ol200828s. Epub 2011 May 3.

Abstract

C15-Substituted 1α,25-dihydroxyvitamin D(3) analogs were synthesized for the first time to investigate the effects of the modified CD-ring on biological activity concerning the agonistic positioning of helix-3 and helix-12 of the vitamin D receptor (VDR). X-ray cocrystallographic analysis proved that 0.6 Å shifts of the CD-ring and shrinking of the side chain were necessary to maintain the position of the 25-hydroxy group for proper interaction with helix-12. The 15-hydroxy-16-ene derivative showed higher binding affinity for hVDR than the natural hormone.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Calcitriol* / analogs & derivatives
  • Calcitriol* / chemical synthesis
  • Calcitriol* / chemistry
  • Calcitriol* / metabolism
  • Crystallography, X-Ray
  • Humans
  • Molecular Conformation
  • Molecular Structure
  • Receptors, Calcitriol / metabolism*

Substances

  • Receptors, Calcitriol
  • Calcitriol