Molecular Engineering

, Volume 1, Issue 2, pp 153–160

A structural and pharmacological study of alkaloids of Vinca Minor

Authors

  • Yves G. Smeyers
    • Instituto de Estructura de la MateriaCSIC
  • Nadine J. Smeyers
    • Departamento de Química OrgánicaUniversidad de Alcalá de Henares
  • Juan J. Randez
    • Instituto de Estructura de la MateriaCSIC
  • A. Hernandez-Laguna
    • Instituto de Estructura de la MateriaCSIC
  • E. Galvez-Ruano
    • Departamento de Química OrgánicaUniversidad de Alcalá de Henares
Article

DOI: 10.1007/BF00420051

Cite this article as:
Smeyers, Y.G., Smeyers, N.J., Randez, J.J. et al. Mol Eng (1991) 1: 153. doi:10.1007/BF00420051

Abstract

The three-dimensional structures of five indole alkaloids of Vinca (Vincamine, Vincamone, Apovincamine, Vincaminol, and Desoxyvincaminol) are determined theoretically and compared with the available experimental data. The main frame of all these compounds presents a similar structure: planar for the indole moiety, and pan-shaped centered on the C-3 atom for the second moiety. From this central atom a particularly active hydrogen atom points downwards. The main structural parameters obtained theoretically are compared with biological activities (arterial blood flow in brain). Some possible active centers, however, are proposed.

Key words

Alkaloids of Vinca Minorthree-dimensional structure determinationquantum mechanical AM1 calculationsQSAR study

Copyright information

© Kluwer Academic Publishers 1991