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Letters in Drug Design & Discovery

Author(s): Roberto Dallocchio, Alessandro Dessi, Vanna Sanna, Nicolino Pala, Ilaria Campesi, Giuseppe Paglietti and Mario Sechi

DOI: 10.2174/157018009788452537

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DNA Binders: 2. Molecular Recognition of DNA by 2,3,6,7-tetrahydro-1Hpyrrolo[1,2-a]indole-1,8(5H)-dione bis(4,5-dihydro-1H-imidazol-2-ylhydrazone) as a Prototype of “Two-Armed” Intercalating Agents

Page: [246 - 251] Pages: 6

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Abstract

The ability of the docking program AutoDock in studying the binding of small molecules to DNA is examined. Herein, we report molecular dynamic studies with the relaxed complex method applied to DNA, and viscosimetric titration results, performed to investigate a possible DNA-binding mode of a model compound of the previously reported “two armed” class of binders.

Keywords: DNA binders, Intercalation, Molecular dynamic, Relaxed complex method, Viscosimetry, Two-armed derivatives, 2,3,6,7-Tetrahydro-1H-pyrrolo[1,2-a]indole-1, 8(5H)-dione bis(4,5-dihydro-1H-imidazol-2-yl-hydrazone)