title: Theoretical study of substitution effect of the hydrogen bond stability of 9-methylguanine derivatives and 1-methylcytosine.
abstract: The substitution effect on hydrogen bond stability of the Watson-Crick type base pair between 1-methylcytosine (C) and substitution-introduced 9-methylguanine derivatives (Gx) was studied by an ab initio molecular orbital theory. Introduction of an electron-withdrawing group on the 8-position or on the exo-cyclic amino moiety enforced the base pair stability.
authors.affiliation: National Institute of Advanced Industrial Science and Technology (AIST), National Food Research Institute, Biological Function Division, Molecular Function Laboratory, Tsukuba, Ibaraki, Japan.
authors.forename: Shun-ichi
authors.initials: S
authors.lastname: Kawahara
authors.forename: Mitsuo
authors.initials: M
authors.lastname: Sekine
authors.forename: Kazunari
authors.initials: K
authors.lastname: Taira
authors.forename: Hideyuki
authors.initials: H
authors.lastname: Kobayashi
authors.forename: Tadafumi
authors.initials: T
authors.lastname: Uchimaru
mesh_terms: D003596:Cytosine / Q000031:analogs & derivatives* / Q000737:chemistry*; D006147:Guanine / Q000031:analogs & derivatives* / Q000737:chemistry*; D006860:Hydrogen Bonding; D013816:Thermodynamics
chemical_list: C031532:1-methylcytosine; C116701:9-methylguanine; D006147:Guanine; D003596:Cytosine