Effects of In Vitro Digestion of Polyphenols from Coffee on Binding Parameters to Human Topoisomerase II α
2023
Joanna Grzelczyk | Horacio Pérez-Sánchez | Miguel Carmena-Bargueño | Joanna Oracz | Grażyna Budryn
Type II topoisomerase (TOPII) is an enzyme that influences the topology of DNA. DNA breaks generated by TOPII may result in mutagenic or cytotoxic changes in cancer cells. In this study, we characterized interactions of TOPII&alpha: with coffee extracts and individual chlorogenic acids (CHAs) from the extracts by performing isothermal titration calorimetry (ITC) and molecular docking (MD) simulations. The study showed that the highest affinity to TOPII&alpha: was found in green coffee (&Delta:G = &minus:38.23 kJ/mol) and monochlorogenic acids fraction of coffee extracts (&Delta:G = &minus:35.80 kJ/mol), resulting from the high content of polyphenols, such as CHAs, which can bind to the enzyme in the active site. Coffee extracts and their fractions maintained a high affinity for TOPII&alpha: after simulated digestion in the presence of probiotic bacteria. It can be concluded that coffee may be a potential TOPII&alpha: inhibitor considered as a functional food for cancer prevention.
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