SciELO - Scientific Electronic Library Online

 
vol.94 issue1-3Structure-activity relationship of berberine and derivatives acting as antifungal compoundsNew solubility models based on descriptors derived from the Detour Matrix author indexsubject indexarticles search
Home Pagealphabetic serial listing  

Services on Demand

Article

Indicators

  • Have no cited articlesCited by SciELO

Related links

  • On index processCited by Google
  • Have no similar articlesSimilars in SciELO
  • On index processSimilars in Google

Bookmark


Anales de la Asociación Química Argentina

Print version ISSN 0365-0375

Abstract

GARRO MARTINEZ, J. C. et al. A preliminary theoretical study of antiepileptic drugs. An. Asoc. Quím. Argent. [online]. 2006, vol.94, n.1-3, pp. 121-127. ISSN 0365-0375.

This work is aimed to investigate the structural characteristics of several open chain enaminones, a group of organic compounds containing the conjugated system N-C=C-C=O, with the assumption that they possess two main characteristics: transportability through biological membranes and pharmacological effects as antiepileptics by binding to the voltage-gated sodium ion channel. To explore this possibility, density functional calculations were used to find the minimum energy conformations of nine candidate molecules. The conformational analysis was carried out by comparing the characteristics of the structures based on graphical and superposition techniques.

        · abstract in Spanish     · text in English