Abstract

Molecular modeling of the interaction of trypanocide aromatic guanyl hydrazones with B-DNA showed that the preferential sites for interaction are the DNA minor groove AT rich regions, with hydrogen bonding between the guanidine moiety of the drugs and the thymine O2, and the adenine N3. There is a correlation between the total interaction energy and ID 50 . Molecular modeling of the interaction of trypanocide aromatic guanyl hydrazones ( 1 ) with B-DNA showed that the preferential sites for interaction are the DNA minor groove AT rich regions.

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