Interaction of chlorpromazine with 2'-deoxyguanosine-5'-monophosphate by PM3 calculation

Teruo Kurihara, Noboru Motohashi, Hidesaburo Kobayashi, Wataru Yamanaka, Shin Ichi Dohyashiki, Joseph Molnár

Research output: Contribution to journalArticle

4 Citations (Scopus)

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 PO32- group in Z-dGMP, respectively. The vibrations at 889, 803 and 799 cm-1 due to the C5'-O-PO32- stretching vibration shifted to their corresponding higher wave numbers, comparing to those of Z-dGMP alone.

Original languageEnglish
Pages (from-to)3493-3497
Number of pages5
JournalAnticancer research
Volume18
Issue number5 A
Publication statusPublished - Sep 1 1998

Keywords

  • COSMO calculation
  • Chlorpromazine
  • IR spectra
  • PM3 method
  • dGMP

ASJC Scopus subject areas

  • Oncology
  • Cancer Research

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    Kurihara, T., Motohashi, N., Kobayashi, H., Yamanaka, W., Dohyashiki, S. I., & Molnár, J. (1998). Interaction of chlorpromazine with 2'-deoxyguanosine-5'-monophosphate by PM3 calculation. Anticancer research, 18(5 A), 3493-3497.