Electrostatic components of drug-receptor recognition. II. The DNA-binding antibiotic actinomycin

Proceedings of the Royal Society of London. Series B, Containing Papers of a Biological Character
P M Dean, L P Wakelin

Abstract

The semiempirical molecular orbital method PCILO has been used to study the electronic charge distribution and conformation of the antibiotic actinomycin. Molecular electrostatic potential fields have been constructed in three-dimensional space round the molecule and displayed stereoscopically together with contour maps in the orthogonal planes relative to that of the chromophore. It was found that the drug has a considerable dipole moment and that the electrostatic fields can be separated into two large regions; an area of positive potential surrounds the chromophore and one of negative potential is directed away from the peptide rings. In this and the preceding paper these observations are discussed with respect to drug-receptor recognition phenomena. Pattern-matching of complementary electrostatic fields between the drug and polynucleotide receptor can be discerned.

References

Jan 1, 1975·Angewandte Chemie·H Lackner
Sep 1, 1976·Proceedings of the National Academy of Sciences of the United States of America·H M SobellT D Sakore
Nov 24, 1973·Lancet·J M Russell, A J Cochran

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Citations

Oct 15, 1980·Proceedings of the Royal Society of London. Series B, Containing Papers of a Biological Character·P M Dean, L P Wakelin
Oct 14, 2014·Advances in Virology·Raquel HernandezAngel Paredes
Dec 31, 2008·Chemical Research in Toxicology·Amin M S Abdul MajidLaurence P G Wakelin

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