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J Photochem Photobiol B. 2013 Nov 5;128:20-6. doi: 10.1016/j.jphotobiol.2013.08.005. Epub 2013 Aug 15.

Study on the interaction of the drug mesalamine with calf thymus DNA using molecular docking and spectroscopic techniques.

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Department of Inorganic Chemistry, Faculty of Chemistry, Razi University, Kermanshah, Iran. Electronic address:


The interaction of CT-DNA with the drug mesalamine (5-ASA) at physiological pH has been investigated by absorption, emission, circular dichroism (CD), cyclic voltammetry (CV), viscosity studies and molecular modeling. Thermodynamic parameters (ΔH>0 and ΔS<0) indicated that hydrogen bond and van der Waals play main roles in the binding of 5-ASA to CT-DNA. Ethidium bromide (EB) displacement studies revealed that 5-ASA did not have any effect on ethidium bromide (EB) bound DNA which is indicative of groove binding. The results obtained from experimental and molecular modeling showed that 5-ASA is a minor groove binder of DNA and preferentially binds to GC rich regions.


CT-DNA; Groove binding; Mesalamine; Molecular docking

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