We determined the conjugation and binding efficacy of tea catechins (+)-catechin (C), (-)-epicatechin gallate (ECG) and (-)-epigallocatechin gallate (EGCG) with calf thymus DNA in aqueous solution at physiological pH. Thermodynamic analysis showed that tea catechins bind DNA via hydrophilic and hydrophobic interactions with the binding efficacy of 45-60%. Larger catechins form more stable DNA adducts with the order of stability EGCG > ECG > C. Modeling showed catechin-DNA conjugation occurs via both G-C and A-T base pairs with the free binding energy of -4.46 (C), -4.51 (EGC) and -4.59 kcal/mol (EGCG). Catechin conjugation induced major perturbations of DNA structure, while biopolymer remains in the B-family conformations.
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| http://dx.doi.org/10.1016/j.ijbiomac.2018.12.054 | DOI Listing |
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