LAUSR

This work has assessed the impact of typical heavy metal cations on C-phycocyanin in vitro and in silico. At low concentrations (<2×10-6 mol/L), the influence of Pb2+ is the highest on the light absorption of C-phycocyanin trimer. At higher concentrations, however, a new order of influence on the light absorption has been observed with Cd2+ < Cu2+ < Pb2+ < Zn2+. The fluorescence polarization has changed from the order of Cd2+ < Pb2+≈Cu2+ < Zn2+ to Cd2+ < Cu2+ < Pb2+ < Zn2+, when the metal concentrations reaches 2×10-6 mol/L. The mechanisms for these findings have been studied using FTIR, hydrophobic probe, isothermal titration calorimetry and molecular docking for the analysis of structure disorder of C-phycocyanin. It has been suggested that the secondary structure of C-phycocyanin affects more to the light absorbance while the fluorescence characteristics relies more on the tertiary structure. The interaction between Pb2+ and C-phycocyanin is both enthalpically and entropically favoured, whereas the interactions for Cd2+, Cu2+ and Zn2+ are entropically driven. The ion-molecular docking suggests that the structure disorder of C-phycocyanin relies on the molecular interactions with metal ions. The in silico study also showed that the binding cites of Zn2+ are closer to chromophores.