Molecular Engineering

, Volume 1, Issue 2, pp 153–160 | Cite as

A structural and pharmacological study of alkaloids of Vinca Minor

  • Yves G. Smeyers
  • Nadine J. Smeyers
  • Juan J. Randez
  • A. Hernandez-Laguna
  • E. Galvez-Ruano
Article

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 Minor three-dimensional structure determination quantum mechanical AM1 calculations QSAR study 

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Copyright information

© Kluwer Academic Publishers 1991

Authors and Affiliations

  • Yves G. Smeyers
    • 1
  • Nadine J. Smeyers
    • 2
  • Juan J. Randez
    • 1
  • A. Hernandez-Laguna
    • 1
  • E. Galvez-Ruano
    • 2
  1. 1.Instituto de Estructura de la MateriaCSICMadridSpain
  2. 2.Departamento de Química OrgánicaUniversidad de Alcalá de HenaresAlcaláde HenaresSpain

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