Computerized structural modeling of iodocortisol
International Journal of Development Research
Computerized structural modeling of iodocortisol
Received 08th February, 2019; Received in revised form 03rd March, 2019; Accepted 21st April, 2019; Published online 30th May, 2019
Copyright © 2019, Petr Melnikov et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
The computerized modeling of the 9α-iodine derivative of cortisol has provided structural information on bond lengths and bond angles for the title compound. It was shown that the C-C, C=C and C=O bonds practically coincide with those of dexametasone, chlorocortisol and bromocortisol. The basic difference consists in the lengths of the C-Hal bonds, which are in linear relationship with halogens ionic radii. The low electronegativities of the carbon-iodine pair and large iodine ionic radius imply the ease with which the separation of elemental iodine can occur, causing the initial steroid molecule to become a free radical. Therefore, this compound becomes recommendable to be obtained synthetically, in a further search for clinically promising corticosteroids.
