Department of Chemistry, Section of Organic Chemistry and Biochemistry, University of Ioannina, Ioannina, Greece.
Department of Chemistry, National and Kapodistrian University of Athens, Athens, Greece.
J Enzyme Inhib Med Chem. 2020 Dec;35(1):786-804. doi: 10.1080/14756366.2020.1740923.
Rosmarinic acid, a phytochemical compound, bears diverse pharmaceutical profile. It is composed by two building blocks: caffeic acid and a salvianic acid unit. The interaction profile, responsible for the delivery of rosmarinic acid and its two substructure components by serum albumin remains unexplored. To unveil this, we established a novel low-cost and efficient method to produce salvianic acid from the parent compound. To probe the interaction profile of rosmarinic acid and its two substructure constituents with the different serum albumin binding sites we utilised fluorescence spectroscopy and competitive saturation transfer difference NMR experiments. These studies were complemented with transfer NOESY NMR experiments. The thermodynamics of the binding profile of rosmarinic acid and its substructures were addressed using isothermal titration calorimetry. docking studies, driven by the experimental data, have been used to deliver further atomic details on the binding mode of rosmarinic acid and its structural components.
迷迭香酸是一种植物化学物质，具有多种药物特性。它由两部分组成：咖啡酸和丹酚酸单元。其与血清白蛋白相互作用的特征，负责迷迭香酸及其两个亚结构成分的输送，这方面的研究仍未被探索。为了揭示这一点，我们建立了一种从母体化合物生产丹酚酸的新型低成本、高效率的方法。为了探究迷迭香酸及其两个亚结构成分与不同血清白蛋白结合位点的相互作用特征，我们利用荧光光谱和竞争饱和转移差异 NMR 实验进行了研究。这些研究还补充了转移 NOESY NMR 实验。使用等温滴定量热法研究了迷迭香酸及其亚结构的结合特性的热力学。基于实验数据的对接研究，进一步提供了迷迭香酸及其结构成分结合模式的原子细节。
