Eriocitrin is a flavanone glycoside, which exists in lemon or lime citrus fruits. It possesses antioxidant, anticancer, and anti-allergy activities. In order to investigate the pharmacokinetics and pharmacological mechanisms of eriocitrin in vivo, the interaction between eriocitrin and bovine serum albumin (BSA) was studied under the simulated physiological conditions by multispectroscopic and molecular docking methods. The results well indicated that eriocitrin and BSA formed a new eriocitrin-BSA complex because of intermolecular interactions, which was demonstrated by the results of ultraviolet-visible (UV-vis) absorption spectra. The intrinsic fluorescence of BSA was quenched by eriocitrin, and static quenching was the quenching mechanism. The number of binding sites (n) and binding constant (Kb ) at 310 K were 1.22 and 2.84 × 106 L mol-1 , respectively. The values of thermodynamic parameters revealed that the binding process was spontaneous, and the main forces were the hydrophobic interaction. The binding distance between eriocitrin and BSA was 3.43 nm. In addition, eriocitrin changed the conformation of BSA, which was proved by synchronous fluorescence and circular dichroism (CD) spectra. The results of site marker competitive experiments suggested that eriocitrin was more likely to be inserted into the subdomain IIA (site I), which was further certified by molecular docking studies.

中文翻译：

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芥酸与牛血清白蛋白相互作用的多光谱探索和分子对接分析。

Eriocitrin是一种黄烷酮糖苷，存在于柠檬或酸橙柑桔类水果中。它具有抗氧化，抗癌和抗过敏的作用。为了研究体内蛇毒苷的药代动力学和药理机制，在模拟生理条件下，通过多光谱和分子对接方法研究了蛇毒苷与牛血清白蛋白（BSA）之间的相互作用。结果很好地表明，由于分子间的相互作用，eriocitrin和BSA形成了一种新的eriocitrin-BSA复合物，这由紫外-可见（UV-vis）吸收光谱的结果证明。BSA的固有荧光被芥酸柠檬酸猝灭，静态猝灭是其猝灭机理。在310 K的结合位点数（n）和结合常数（Kb）为1.22和2.84×106 L mol-1，分别。热力学参数值表明结合过程是自发的，主要作用力是疏水相互作用。eriocitrin和BSA之间的结合距离为3.43 nm。此外，艾立胞苷改变了BSA的构象，这通过同步荧光和圆二色性（CD）光谱证明。位点标记竞争实验的结果表明，eriocitrin更可能插入到IIA子域（位点I）中，这已通过分子对接研究进一步证实。同步荧光和圆二色性（CD）光谱证明了这一点。位点标记竞争实验的结果表明，eriocitrin更可能插入到IIA子域（位点I）中，这已通过分子对接研究进一步证实。同步荧光和圆二色性（CD）光谱证明了这一点。位点标记竞争实验的结果表明，eriocitrin更可能插入到IIA子域（位点I）中，这已通过分子对接研究进一步证实。