Khutorskiĭ V E, Kamenchuk A A, Ermishkin L N
Biofizika. 1988 Sep-Oct;33(5):794-9.
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.
采用原子 - 原子势方法计算了两性霉素B胆固醇复合物在膜中的能量。结果表明该复合物有两种稳定状态。其中一种状态是由于相邻抗生素分子的带电基团之间的静电相互作用而稳定，这是因为分子向孔半径方向下降。另一种抗生素分子呈径向排列且孔径较小的状态主要由范德华力稳定。得出的结论是，复合物中所有抗生素分子的微小位移和转动可能导致开放和关闭状态之间的转变。
