A comparative molecular modeling study of dydrogesterone with other progestational agents through theoretical calculations and nuclear magnetic resonance spectroscopy.

@article{Colombo2006ACM,
  title={A comparative molecular modeling study of dydrogesterone with other progestational agents through theoretical calculations and nuclear magnetic resonance spectroscopy.},
  author={Diego Colombo and Patrizia Ferraboschi and Paolo Prestileo and Lucio Toma},
  journal={The Journal of steroid biochemistry and molecular biology},
  year={2006},
  volume={98 1},
  pages={56-62}
}
6-Dehydroretroprogesterone (dydrogesterone) and three other natural or synthetic progestins (progesterone, retroprogesterone, and 6-dehydroprogesterone) were submitted to a conformational study through theoretical calculations at the B3LYP/6-31G(*) level and high field NMR spectroscopy. The study allows to define the role of the two structural features which differentiate these steroids, i.e., the C9 and C10 configuration and the C6-C7 unsaturation. The combined effects of the conformational… CONTINUE READING