Abstract:
:A detailed investigation on the mode of action and binding mechanism of a potent anticancer drug, 5-(3,3-dimethyl-1-triazeno)-imidazole-4-carboxamide (DCR) with calf thymus DNA (ctDNA) was carried out. UV-vis and fluorescence spectrophotometry suggested the formation of complex between DCR and ctDNA. The binding constant (Kb) determined by ITC was 7.89×10(4) M(-1). Thermodynamic parameters obtained by isothermal calorimetry suggested the spontaneous free energy (ΔG<0) and large favorable enthalpy driven (ΔH<0) reaction, indicating the key role of hydrogen bonding and van der Waals forces in groove binding process. Moreover, DNA-melting and circular dichroism as well as competitive displacement studies with ethidium bromide, Hoechst 33258 and potassium iodide, clearly established the formation of a groove binding system between the DCR and ctDNA. Molecular docking analysis further confirmed DCR to be a minor groove binder involving hydrogen bonding mediated 'A-T'-rich region of 'B-DNA'.
journal_name
Int J Biol Macromoljournal_title
International journal of biological macromoleculesauthors
Ahmad I,Ahmad Mdoi
10.1016/j.ijbiomac.2015.04.055subject
Has Abstractpub_date
2015-08-01 00:00:00pages
193-200eissn
0141-8130issn
1879-0003pii
S0141-8130(15)00293-7journal_volume
79pub_type
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