Electrostatic potentials of deoxydinucleoside monophosphates. 1. Deoxydinucleoside monophosphates and actinomycin chromophore interactions

• Published in: Journal of medicinal chemistry Vol. 22; no. 12; pp. 1517 - 1524
• Main Authors: Nuss, Merrill E, Kollman, Peter A
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 01.12.1979
• Subjects: Dactinomycin; Deoxyribonucleotides; Electrochemistry; Molecular Conformation; Nucleotides; Quantum Theory; Thermodynamics

We present electrostatic potential maps for the ten Watson-Crick base-pair combinations of dinucleoside monophosphates in a conformation appropriate for intercalation of drugs to occur. These maps reveal interesting differences among the base-pair combinations and suggest reasons for the base-pair s...