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.

journal_name

Anticancer Res

journal_title

Anticancer research

authors

Kurihara T,Motohashi N,Kobayashi H,Yamanaka W,Dohyashiki S,Molnár J

subject

Has Abstract

pub_date

1998-09-01 00:00:00

pages

3493-7

issue

5A

eissn

0250-7005

issn

1791-7530

journal_volume

18

pub_type

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