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Inhibition Effect of Okanin Toward Human Cytochrome P450 3A4 and 2D6 with Multi-spectroscopic Studies and Molecular Docking

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Abstract

Okanin, a major flavonoid of a popular herb tea, Coreopsis tinctoria Nutt., showed strong inhibition on CYP3A4 and CYP2D6. The strong interaction between okanin and CYPs were determined by enzyme kinetics, multispectral technique and molecular docking. The inhibition type of two enzymes, CYP3A4 and CYP2D6, by okanin are mixed and non-competitive inhibition type, respectively. The IC50 values and the binding constant of okanin to CYP3A4 can be deduced that the interaction was stronger than that of CYP2D6. The Conformations of CYP3A4 and CYP2D6 were changed by okanin. The evidence from fluorescence measurement along with molecular docking verified that these two CYPs were bound with okanin by hydrogen bonds and hydrophobic forces. Our investigation suggested that okanin may lead to interactions between herb and drug by inhibiting CYP3A4 and CYP2D6 activities, thus its consumption should be taken with caution.

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Data Availability

The date that support the findings of this study are available from the corresponding author upon reasonable request.

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Acknowledgements

This study was supported by International Science and Technology Cooperation Project of Jilin provincial science and Technology Department (No. 20210402049GH).

Funding

This work was supported by International Science and Technology Cooperation Project of Jilin provincial science and Technology Department (No. 20210402049GH).

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  1. The College of Chemistry, Changchun Normal University, Changchun, 130032, China

    Suqing Wang, Meizi Wang, Jingjing Cui, Di Lian & Li Li

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Material preparation, data collection and analysis were performed by Meizi Wang, Jingjing Cui and Di lian. The first draft of the manuscript was written by Suqing Wang.

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Correspondence to Li Li.

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Wang, S., Wang, M., Cui, J. et al. Inhibition Effect of Okanin Toward Human Cytochrome P450 3A4 and 2D6 with Multi-spectroscopic Studies and Molecular Docking. J Fluoresc 34, 203–212 (2024). https://doi.org/10.1007/s10895-023-03258-4

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