Computer analysis of the spatial structure of the amphotericin channel

Energy of Amphotericin B cholesterol complex in a membrane was calculated by the method of atom--atomic potentials. The complex is shown to have two stable states. One of them is stabilized by electrostatic interactions between charged groups of neighbouring antibiotic molecules due to a decline of...

Full description

Saved in:
Bibliographic Details
Published inBiofizika Vol. 33; no. 5; p. 794
Main Authors Khutorskiĭ, V E, Kamenchuk, A A, Ermishkin, L N
Format Journal Article
LanguageRussian
Published Russia (Federation) 01.09.1988
Subjects
Amphotericin B
Cholesterol
Computer Simulation
Ion Channels
Membrane Lipids
Molecular Structure
Online AccessGet more information

Cover

More Information
Summary:Energy of Amphotericin B cholesterol complex in a membrane was calculated by the method of atom--atomic potentials. The complex is shown to have two stable states. One of them is stabilized by electrostatic interactions between charged groups of neighbouring antibiotic molecules due to a decline of the molecules to the pore radius. Another state with radial orientation of antibiotic molecules and smaller pore diameter is stabilized mainly by van-der-Waals forces. A conclusion is made that transitions between open and closed states may result from small shifts and turn of all the antibiotic molecules in the complex.
ISSN:0006-3029