RT Journal Article
SR Electronic
T1 Conformation of the Deoxyribonucleic Acid-Binding Peptide Antibiotic Echinomycin Based on Energy Calculations
JF Molecular Pharmacology
JO Mol Pharmacol
FD American Society for Pharmacology and Experimental Therapeutics
SP 579
OP 584
VO 13
IS 3
A1 GIOVANNI UGHETTO
A1 MICHAEL J. WARING
YR 1977
UL http://molpharm.aspetjournals.org/content/13/3/579.abstract
AB 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.