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Molecular modelling and cytotoxicity of substituted anthraquinonesas inhibitors of human telomerase

Cairns, D. and Michalitsi, E. and Jenkins, T.C. and Mackay, S.P. (2002) Molecular modelling and cytotoxicity of substituted anthraquinonesas inhibitors of human telomerase. Bioorganic and Medicinal Chemistry Letters, 10. pp. 803-807. ISSN 0960-894X

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Molecular modelling has been carried out for a number of amine-functionalised anthraquinone derivatives to determine their extent of binding to G-tetraplex DNA and their ability to inhibit the enzymes telomerase and Taq polymerase. The results are compared to data obtained from a modified TRAP assay and show good correlation between the two methods. The findings suggest that anthraquinone derivatives of this type inhibit telomerase by stabilisation of four-stranded tetraplex structures associated with guanine-rich telomeric DNA regions.