title: Conformational analysis of amphotericin B molecule.
abstract: 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.
authors.affiliation: Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, Pushchino, Moscow Region.
authors.lastname: Silberstein AYa
authors.forename: S L
authors.initials: SL
authors.lastname: Smirnov
mesh_terms: 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
chemical_list: D000900:Anti-Bacterial Agents; D000935:Antifungal Agents; D000666:Amphotericin B