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Model study on the sequence specific stacking by chromophore of an anticancer drug, acridine carboxamide with base pairs of DNA

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Title Model study on the sequence specific stacking by chromophore of an anticancer drug, acridine carboxamide with base pairs of DNA
 
Creator Parajuli, Raghab
Sarma, Rajib Lochan
Das, Manas Lochan
Medhi, C
 
Subject Stacking
ab initio
MP2
DFT
DNA
 
Description 1483-1494
The study on the sequence specific binding of acridine-4-carboxamides with DNA has been an important topic in the design of new drugs. It has been known that the anticancer properties of acridine-2, acridine-3 and acridine-4-carboxamides are significantly different. So the sequence specific binding of these drugs can be monitored from the intercalative mode of binding by chromophores within DNA. The stacking energies obtained from ab initio, MP2 and DFT methods have been used to understand the sequence preference intercalation by chromophore. Among these drugs, the acridine-4-carboxamide shows maximum stacking with GC base pair in spite of acquiring high potency, but the stacking energy of this drug with AT base pair is not so small. The conformation of carboxamide side chain in acridine-4-carboxamide does not lie in the same plane of chromophore, and also the orientation of side chain in acridine-2 and acridine-3 carboxamides is different from that of acridine-4-carboxamide.
 
Date 2009-04-15T09:13:41Z
2009-04-15T09:13:41Z
2007-09
 
Type Article
 
Identifier 0376-4699
http://hdl.handle.net/123456789/3853
 
Language en_US
 
Publisher CSIR
 
Source IJC-B Vol.46B(09) [September 2007]