Interaction of saffron carotenoids with catalase: in vitro, in vivo and molecular docking studies.

The effects of saffron carotenoids, crocetin (Crt) and crocin (Cro) on the structure, function and kinetics of catalase (CAT) were investigated. Both Crt and Cro quenched the fluorescence emission of CAT through the dynamic mechanism, but Crt (Ksv= 8.1 × 104 mol-1) was more effective than Cro (Ksv= 0.6 × 104 mol-1) at 300 °K. The UV-vis and circular dichroism spectra showed conformational changes of CAT in the presence of both carotenoids, but with different degrees. Kinetic studies showed strong inhibition of CAT by Crt, while, different concentrations of Cro showed different effects. Our in vitro data showed that Crt treatment significantly (p = 0.002) reduced the CAT activity in MCF-7, up to 24 h. The in vivo results showed that both Crt and Cro significantly increased the CAT activity in the tumor (p = 0.000 for both), and liver (p = 0.000 and p = 0.026 for Crt and Cro, respectively) tissues of 4T1-induced breast cancer in BALB/c mice, after 4 weeks of treatment. These findings are consistent with the binding, thermodynamic and molecular docking data. In conclusion, Crt and Cro with some differences in the structure affect CAT structure, function and activity, but in a slightly different manner.Communicated by Ramaswamy H. Sarma.