Molecular Mechanisms of Radiation Induced Dna Damage: H-Addition to Bases, Direct Ionization and Double Strand Break

R. Osman Department of Physiology and Biophysics, Mount Sinai School of Medicine of the City University of New York, New York, NY, 10029, USA

L. Pardo Department of Physiology and Biophysics, Mount Sinai School of Medicine of the City University of New York, New York, NY, 10029, USA

J. Banfelder Department of Physiology and Biophysics, Mount Sinai School of Medicine of the City University of New York, New York, NY, 10029, USA

A. P. Mazurek Department of Physiology and Biophysics, Mount Sinai School of Medicine of the City University of New York, New York, NY, 10029, USA

L. Shvartzman Department of Physiology and Biophysics, Mount Sinai School of Medicine of the City University of New York, New York, NY, 10029, USA

R. Strauss Department of Physiology and Biophysics, Mount Sinai School of Medicine of the City University of New York, New York, NY, 10029, USA

H. Weinstein Department of Physiology and Biophysics, Mount Sinai School of Medicine of the City University of New York, New York, NY, 10029, USA

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Abstract

Structures and properties of C.(-H) and of TH. were obtained from quantum mechanical calculations. New AMBER parameters for these radicals were obtained to fit their structures and charge distributions. Molecular mechanics simulations of the conformational changes induced in a 12-mer of DNA, d(CGCGAATTCGCG), by these radicals show that the distances between the base and the C₂' of the sugar becomes shorter. Such changes suggest that the base radical can abstract the H,' and transfer the radical from the base to the sugar. Once the radical becomes centered on the sugar a strand break can follow. A simultaneous formation of guanine and thymine radicals on opposite strands may lead to a double strand break.

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Molecular Mechanisms of Radiation Induced Dna Damage: H-Addition to Bases, Direct Ionization and Double Strand Break

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Molecular Mechanisms of Radiation Induced Dna Damage: H-Addition to Bases, Direct Ionization and Double Strand Break

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