Anion binding to nucleic acid bases. A quantum-mechanical exploration using electrostatic molecular potentials

B. Pullman; A. Goldblum; H. Berthod

doi:10.1016/S0006-291X(77)80101-0

Anion binding to nucleic acid bases. A quantum-mechanical exploration using electrostatic molecular potentials

B. Pullman^*, A. Goldblum, H. Berthod

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

Electrostatic molecular potentials are used to evaluate the binding abilities of monovalent simple anions to the nucleic acid bases. When the NH bond involved in nucleoside formation is disregarded the relative affinities of the bases towards Cl^- are in the order guanine > cytosine > adenine > thymine = uracil. In guanine in particular a localized site of binding is found in the region between N₁H and the NH₂ group. These findings correlate satisfactorily with the scarce experimental data available.

Original language	English
Pages (from-to)	1166-1169
Number of pages	4
Journal	Biochemical and Biophysical Research Communications
Volume	77
Issue number	4
DOIs	https://doi.org/10.1016/S0006-291X(77)80101-0
State	Published - 22 Aug 1977
Externally published	Yes

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10.1016/S0006-291X(77)80101-0

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N2 - Electrostatic molecular potentials are used to evaluate the binding abilities of monovalent simple anions to the nucleic acid bases. When the NH bond involved in nucleoside formation is disregarded the relative affinities of the bases towards Cl- are in the order guanine > cytosine > adenine > thymine = uracil. In guanine in particular a localized site of binding is found in the region between N1H and the NH2 group. These findings correlate satisfactorily with the scarce experimental data available.

AB - Electrostatic molecular potentials are used to evaluate the binding abilities of monovalent simple anions to the nucleic acid bases. When the NH bond involved in nucleoside formation is disregarded the relative affinities of the bases towards Cl- are in the order guanine > cytosine > adenine > thymine = uracil. In guanine in particular a localized site of binding is found in the region between N1H and the NH2 group. These findings correlate satisfactorily with the scarce experimental data available.

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Anion binding to nucleic acid bases. A quantum-mechanical exploration using electrostatic molecular potentials

Abstract

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