Comparative Structural Modeling of Vitamin D3 Containing Sulfur, Selenium and Tellurium


  •  Petr Melnikov    
  •  Ana Gaúna    
  •  Lourdes Zanoni    
  •  Lincoln Oliveira    
  •  Valter Nascimento    

Abstract

The comparative structural modeling of vitamins D3 containing sulfur, selenium and tellurium in oxygen site has provided detailed information about the bond lengths and bond angles, filling the gap in the structural characteristics of virtual VD3 variants. The investigation using the molecular mechanics technique with good approximation confirmed the information available on X-ray refinements for the natural VD3. It was shown that Ch-H and Ch-C bond lengths grow in parallel with the increasing chalcogen ionic radii and practically insensitive to the presence of the organic moiety. These findings demonstrate a higher polarity of VD3S-H, VD3Se-H and VD3Te-H as compared to VD3. It maybe suggested that enhanced polarity can have a positive impact on hydroxylation processes.



This work is licensed under a Creative Commons Attribution 4.0 License.
  • ISSN(Print): 1916-9698
  • ISSN(Online): 1916-9701
  • Started: 2009
  • Frequency: semiannual

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