ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Anthraquinone intercalators possessing two side chains offer potentially the three possibilities of having these chains located (1) both in the major groove, (2) both in the minor groove, and (3) one in the major and the other in the minor groove (“threading” mode of intercalation). Computations carried out on two related doubly substituted anthraquinones, mitoxantrone (I) and bis-glycylglycylanthraquinone (II), indicate that while I should intercalate with its two side chains located both in the major groove, II should adopt the threading arrangement. This result is interpreted in terms of the importance of ligand-DNA mutual adaptation. The results of the computations are in agreement with very recent experimental findings of Palumbo and Gatto at the University of Padova in Italy.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560400721
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