Interaction of chlorpromazine with 2'-deoxyguanosine-5'-monophosphate by PM3 calculation
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...
Elmentve itt :
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| Dokumentumtípus: | Cikk |
| Megjelent: |
1998
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| Sorozat: | ANTICANCER RESEARCH
18 No. 5A |
| Tárgyszavak: | |
| mtmt: | 2738431 |
| Online Access: | http://publicatio.bibl.u-szeged.hu/31390 |
| Tartalmi kivonat: | 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. |
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| Terjedelem/Fizikai jellemzők: | 3493-3497 |
| ISSN: | 0250-7005 |