These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: Molecular modelling studies on the digitalis binding site of the Na+/K(+)-ATPase.
    Author: Höltje HD, Anzali S.
    Journal: Pharmazie; 1992 Sep; 47(9):691-7. PubMed ID: 1335579.
    Abstract:
    Using molecular modelling methods, several digitalis-unlike compounds such as chlormadinol acetate and cassaine, which bind to the digitalis receptor and inhibit the Na+/K(+)-ATPase were compared with cardenolides as a standard. The interaction energies of this group of compounds with various probes such as a methyl group or a NH-amid group were calculated using GRID and compared using GRAD. A pharmacophore model was derived, which describes all corresponding inotropic substrates. On this basis and including experimental knowledge on the Na+/K(+)-ATPase a receptor model was developed.
    [Abstract] [Full Text] [Related] [New Search]