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Indian Journal of Chemistry -Section B (IJC-B) >
IJC-B Vol.47B [2008] >
IJC-B Vol.47B(10) [October 2008] >
| Title: | Ab initio molecular orbital and force field calculations on the interaction of daunomycin with GC base-pair and intercalation within DNA |
| Authors: | Sarma, Rajib L
Kalita, Rituraj
Karim, Murshida
Bezbaruah, Bipul
Medhi, C |
| Keywords: | Ab initio
Force field
DNA
Interacalation
Daunomycin |
| Issue Date: | Oct-2008 |
| Publisher: | CSIR |
| Abstract: | The intercalative binding of daunomycin within dG-dC oligonucleotides has been reported but the contribution of stacking interaction is not clearly known. So the stacking interaction between aglycon ring and GC base pair has been studied. The intercalated structure of daunomycin within dG-dC oligonucleotides is also studied by force field calculation. The stacking energy is found to be not so significant for the stabilization of aglycon ring within GC sequences. Both the stacked structure and the intercalated structure are stabilized at the non steric orientations and the approach of drug towards minor groove is found to be favourable for both the stacking interaction and the intercalation. |
| Page(s): | 1605-1610 |
| ISSN: | 0376-4699 |
| Source: | IJC-B Vol.47B(10) [October 2008]
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