title: Computational studies on pterins and speculations on the mechanism of action of dihydrofolate reductase.
abstract: The significance of the enol form of the pterin ring in enzymatic reduction of dihydrofolate by DHFR is discussed on the basis of the results of ab initio calculations carried out on the keto/enol tautomers of 6-methyl-7, 8-dihydropterin as the model compound for the natural substrate, dihydrofolate.
authors.affiliation: National Chemical Laboratory for Industry, Agency of Industrial Science and Technology, Tsukuba Science City, Japan.
authors.forename: T
authors.initials: T
authors.lastname: Uchimaru
authors.forename: S
authors.initials: S
authors.lastname: Tsuzuki
authors.forename: K
authors.initials: K
authors.lastname: Tanabe
authors.forename: S J
authors.initials: SJ
authors.lastname: Benkovic
authors.forename: K
authors.initials: K
authors.lastname: Furukawa
authors.forename: K
authors.initials: K
authors.lastname: Taira
mesh_terms: D004579:Electron Transport; D006860:Hydrogen Bonding; D008433:Mathematics; D009249:NADP; D010084:Oxidation-Reduction; D011622:Pterins; D013329:Structure-Activity Relationship; D013762:Tetrahydrofolate Dehydrogenase
chemical_list: D011622:Pterins; D009249:NADP; D013762:Tetrahydrofolate Dehydrogenase