The College of Chemistry, Changchun Normal University, Changchun, 130032, China.
J Fluoresc. 2024 Jan;34(1):203-212. doi: 10.1007/s10895-023-03258-4. Epub 2023 May 16.
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 IC 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.
金光菊中的主要类黄酮成分奥卡宁对 CYP3A4 和 CYP2D6 有很强的抑制作用。通过酶动力学、多光谱技术和分子对接实验确定了奥卡宁与 CYP 之间的强相互作用。两种酶（CYP3A4 和 CYP2D6）对奥卡宁的抑制类型分别为混合非竞争性抑制和非竞争性抑制。根据奥卡宁对 CYP3A4 的 IC 值和结合常数，可以推断出其与 CYP3A4 的相互作用比 CYP2D6 更强。奥卡宁还改变了 CYP3A4 和 CYP2D6 的构象。荧光测量和分子对接的证据证实，这两种 CYP 与奥卡宁通过氢键和疏水相互作用结合。我们的研究表明，奥卡宁可能通过抑制 CYP3A4 和 CYP2D6 的活性导致草药和药物之间的相互作用，因此应谨慎使用。
