TY - JOUR T1 - Conformation of the Deoxyribonucleic Acid-Binding Peptide Antibiotic Echinomycin Based on Energy Calculations JF - Molecular Pharmacology JO - Mol Pharmacol SP - 579 LP - 584 VL - 13 IS - 3 AU - GIOVANNI UGHETTO AU - MICHAEL J. WARING Y1 - 1977/05/01 UR - http://molpharm.aspetjournals.org/content/13/3/579.abstract N2 - Potential energy calculations and geometrical requirements for ring closure limit the number of allowed conformations for the peptide ring of echinomycin to a very few. Refinement by a method of steepest descent beads to the selection of a minimum-energy conformation having substantial elements of twofold rotational symmetry, with the quinoxaline chromophores spaced approximately 10.2 A apart in a configuration which is compatible with simultaneous (bifunctional) intercalation into the DNA helix. ACKNOWLEDGMENTS We thank Drs. L. P. G. Wakelin, G. C. K. Roberts, and J. Feeney for critical discussion. ER -