title: Effects of halogen substitution on Watson-Crick base pairing: a possible mechanism for radiosensitivity.
abstract: The halogen substituent effect on geometries and charge distributions of the A-T base pair derivatives was evaluated using density functional theory at B3LYP/6-31G* level. The results indicate that all of the substitutions affect geometries and charge distributions of the atoms contributing hydrogen bonds. These changes would be the reason of the radiosensitization of these compounds incorporating DNA.
authors: Department of Biophysics, Faculty of Science, Tarbiat Modares University, Tehran, Iran.
authors: Emran
authors: E
authors: Heshmati
authors: Parviz
authors: P
authors: Abdolmaleki
authors: Hossein
authors: H
authors: Mozdarani
authors: Amir Sabet
authors: AS
authors: Sarvestani
mesh_terms: D000225:Adenine / Q000737:chemistry*; D020029:Base Pairing; D004247:DNA / Q000737:chemistry; D006219:Halogens / Q000737:chemistry*; D006860:Hydrogen Bonding; D011838:Radiation-Sensitizing Agents / Q000737:chemistry*; D013941:Thymine / Q000737:chemistry*
chemical_list: D006219:Halogens; D011838:Radiation-Sensitizing Agents; D004247:DNA; D000225:Adenine; D013941:Thymine