Computerized modeling of vitamin d2 containing sulfur, selenium or tellurium in oxygen site
International Journal of Development Research
Computerized modeling of vitamin d2 containing sulfur, selenium or tellurium in oxygen site
Received 23rd May, 2017; Received in revised form 17th June, 2017; Accepted 22nd July, 2017; Published online 30th August, 2017
Copyright ©2017, 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 investigations using the molecular mechanics technique with good approximation confirmed structural X-ray data for vitamin D2. The calculation of bond lengths and bond angles provided new structural information for vitamin D2 derivatives containing chalcogens (sulfur, selenium or tellurium) in oxygen site. The comparison showed that most of the bond lengths of the substituted compounds are similar, with the exception of the key bonds Ch-H and Ch – C(3), which grow linearly with the ionic radii of chalcogens. The main difference between the derivatives containing O, S, Se and T is the angle C (3) - Ch - H, thus reflecting a variety of distortions of α and β chairs. It is suggested that increased polarity could significantly improve the metabolic functions of natural vitamin D2.
