Summary.
The conformations of the potassium channel opener levcromakalim are analyzed with the aid of quantum chemical calculations in order to determine the energetically most favourable structures. The influence of intramolecular hydrogen bonding on the conformations and on the rotational potential of the molecule is investigated. The structures of different conformationally restricted analogs are compared with the energetically accessible conformational space of levcromakalim with emphasis on similarities in molecular shape.
Zusammenfassung.
Die Konformationen des Kaliumkanalöffners Levcromakalim werden mit Hilfe quantenchemischer Molekülrechnungen untersucht, um die energetisch günstigsten Strukturen zu bestimmen. Der Einfluß der intramolekularen Wasserstoffbrücke auf die Konformationen und die Dynamik des Moleküls wird analysiert. Die Geometrien verschiedener rigider Analoga werden mit den konformativen Möglichkeiten des Levcromakalims verglichen, um Ähnlichkeiten der Molekülgestalt festzustellen.
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Received January 29, 1998. Accepted (revised) February 25, 1988
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Ecker, G., Fleischhacker, W., Wolf, C. et al. A Quantum Chemical Study of Levcromakalim. Monatshefte fuer Chemie 129, 633–642 (1998). https://doi.org/10.1007/PL00013462
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DOI: https://doi.org/10.1007/PL00013462