title: Interaction of chlorpromazine with 2'-deoxyguanosine-5'-monophosphate by PM3 calculation.
abstract: Using the PM3 method, the interactions between chlorpromazine (CPZ) with 2'-deoxyguanosine-5'-monophosphate (dGMP) were examined. We obtained the optimized geometrical structure of each CPZ, dGMP and a CPZ-dGMP system in both aqueous-phase and gaseous-phase and investigated their geometric and electric changes and Force calculation. By Force calculation, three vibrations at 835, 800 and 737 cm-1 were assigned to the antisymmetric and symmetric P-O stretching vibration of PO3(2-) group in Z-dGMP, respectively. The vibrations at 889, 803 and 799 cm-1 due to the C5'-O-PO3(2-) stretching vibration shifted to their corresponding higher wave numbers, comparing to those of Z-dGMP alone.
authors.affiliation: Faculty of Science, Josai University, Saitama, Japan.
authors.forename: T
authors.initials: T
authors.lastname: Kurihara
authors.forename: N
authors.initials: N
authors.lastname: Motohashi
authors.forename: H
authors.initials: H
authors.lastname: Kobayashi
authors.forename: W
authors.initials: W
authors.lastname: Yamanaka
authors.forename: S
authors.initials: S
authors.lastname: Dohyashiki
authors.forename: J
authors.initials: J
authors.lastname: Molnár
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D002746:Chlorpromazine / Q000737:chemistry*; D003848:Deoxyguanine Nucleotides / Q000737:chemistry*; D004347:Drug Interactions; D008956:Models, Chemical; D013055:Spectrophotometry, Infrared
chemical_list: D000970:Antineoplastic Agents; D003848:Deoxyguanine Nucleotides; C007257:2'-deoxyguanosine 5'-phosphate; D002746:Chlorpromazine