Publication Cover
Xenobiotica
the fate of foreign compounds in biological systems
Volume 17, 1987 - Issue 6
8
Views
6
CrossRef citations to date
0
Altmetric
Original Article

Molecular electrostatic potential energies and methylation of DNA bases: a molecular orbital-generated quantitative structure-activity relationship

&
Pages 769-776 | Received 17 Mar 1986, Published online: 30 Sep 2009

References

  • Arnott S., Dover S. D., Wonacott A. J. Least-squares refinement of the crystal and molecular structures of DNA and RNA from X-ray data and standard bond lengths and angles. Acta Crystallographica 1969; B25: 2192–2206
  • Arnott S. The geometry of nucleic acid. Progress in Biophysics and Molecular Biology 1970; 21: 265–319
  • Arnott S., Hulkins D. W. L. Optimized parameters for A-DNA and B-DNA. Biochemical and Biophysical Research Communications 1972; 47: 1504–1509
  • Bingham R. C., Deward M. J. S., Lo D. H. Ground states of molecules. XXV. MINDO/3. An improved version of the MINDO semi-empirical SCF-MO method. Journal of the American Chemical Society 1975; 97: 1285–1293
  • Calman K. C., Paul J. An Introduction to Cancer Medicine. Macmillan, London 1978; 46
  • Clementi E., Mehl J., Von Neissen W. Study of the electronic structure of molecules. XII. Hydrogen bridges in the guanine-cytosine pair and in the dimeric form of formic acid. Journal of Chemical Physics 1971; 54: 508–520
  • Dean P. M., Wakelin L. P. G. Electrostatic components of drug-receptor recognition. I. Structural and sequence analogues of DNA polynucleotides. Proceedings of the Royal Society of London B 1980; 209: 453–471
  • DePierre J. W., Ernster L. The metabolism of polycyclic hydrocarbons and its relationship to cancer. Biochimica et Biophysica Acta 1978; 473: 149–186
  • Dewar M. J. S. Development and status of MINDO/3 and MINDO. Journal of Molecular Structure 1983; 100: 41–50
  • Fukui K., Yonezawa T., Nagata C. Theory of substitution in conjugated molecules. Bulletin of the Chemical Society of Japan 1954; 27: 423–427
  • Fukui K., Yonezawa T., Nagata C. MO-theoretical approach to the mechanism of charge transfer in the process of aromatic substitutions. Journal of Chemical Physics 1957; 27: 1247–1259
  • Kleihues P., Margison G. P. Carcinogenicity of N-methyl N-nitrosamine: possible role of repair excision of O6-methyl guanine from DNA. Journal of the National Cancer Institute 1974; 53: 1839–1841
  • Lawley P. D., Shah S. A. Methylation of DNA by 3H-14C-methyl-labelled N-methyl-N- nitrosourea—evidence for transfer of the intact methyl group. Chemico-Biological Interactions 1973; 7: 115–120
  • Lifschitz C., Bergmann E. D., Pullman B. The ionization potentials of biological purines and pyrimidines. Tetrahedron Letters 1967; 45: 4583–4586
  • Machmer P., Duchesne J. Charge transfer between nucleic acid bases and chloramil,. Nature 1965; 206: 618–619
  • Pullman B., Pullman A. Quantum-mechanical investigations of the electonic structure of nucleic acids and their constituents. Progress in Nucleic Acid Research 1969; 9: 327–402
  • Schaefer H. F. The Electronic Structure of Atoms and Molecules. Addison-Wesley, Reading 1972; 394
  • Voet D., Rich A. The crystal structure of purines, pyrimidines and their intermolecular complexes. Progress in Nucleic Acid Research 1970; 10: 183–265

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.