Khutorsky V E
Department of Chemical Physics, Weizmann Institute of Science, Rehovot, Israel.
Biochim Biophys Acta. 1992 Jul 27;1108(2):123-7. doi: 10.1016/0005-2736(92)90015-e.
The structures of amphotericin B-cholesterol complex that forms a channel in a lipid membrane were analysed by molecular mechanics calculations. The symmetric complex consisting of eight rigid antibiotic and cholesterol molecules was considered. The presence of a continuous set of low-energy states of the complex with different values of the channel diameter was shown. These states are characterized by significant tilt of the amphotericin planes to the radial axis of the channel and by strong interaction between the charged ammonium and carboxyl groups of the antibiotic. Changes of the channel diameter may result in changes in pore permeability.
通过分子力学计算分析了两性霉素B - 胆固醇复合物在脂质膜中形成通道的结构。研究了由八个刚性抗生素和胆固醇分子组成的对称复合物。结果表明，该复合物存在一系列具有不同通道直径值的低能态。这些状态的特征是两性霉素平面相对于通道径向轴有显著倾斜，且抗生素的带电铵基和羧基之间存在强相互作用。通道直径的变化可能导致孔隙通透性的改变。
