Computer analysis of the spatial structure of the amphotericin channel
Khutorskiĭ, V.E.; Kamenchuk, A.A.; Ermishkin, L.N.
Biofizika 33(5): 794-799
1988
ISSN/ISBN: 0006-3029 PMID: 2465026 Document Number: 306742
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.