Conformational analysis of amphotericin B molecule.
Conformational analysis of a cyclic molecule of a channel-forming antibiotic amphotericin B was conducted by the methods of molecular mechanics. A number of conformers differing in both hydroxyl group orientation and lactone ring conformation were obtained. The stable states of the conformers have close intrinsic energies. The conformational analysis supports the conclusion by Mazerski and Borowski (Biophys. Chem. 54:49-60 (1995)) on the flexibility of the amphotericin B lactone ring.
Silberstein AYa
Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, Pushchino, Moscow Region.
Smirnov
S L
SL
D000666:Amphotericin B / Q000737:chemistry*; D000900:Anti-Bacterial Agents / Q000737:chemistry*; D000935:Antifungal Agents / Q000737:chemistry*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003198:Computer Simulation; D008958:Models, Molecular; D008968:Molecular Conformation
D000900:Anti-Bacterial Agents; D000935:Antifungal Agents; D000666:Amphotericin B