Abstract

Artemisinins are secondary metabolites of the medicinal plant Artemisia annua, have anti-inflammatory, anticarcinogenic, immunomodulating, antimicrobial and other properties. However, the pharmacokinetics, pharmacodynamics, exact molecular targets of artemisinin are not well known. The interaction of artemisinin with human serum albumin was studied both in vitro and in silico, and compared with dexamethasone. The quenching of the fluorescence emission of human serum albumin with artemisinin at different temperatures proceeded according to a single mechanism and indicated the static nature, which is similar to the effect of dexamethasone. Artemisinin and dexamethasone interact with Drug site I on human serum albumin. We have shown for the first time the formation of hydrogen bond with Arg218, which plays a crucial role in the binding of drugs at site I. Dexamethasone forms hydrogen bonds with the side chain of Arg218 and Arg222 and the main chain of Val343. The amino acids of subdomains IIA and IIIA of human serum albumin coincide for both compounds. Studies of the electrophoretic mobility of DNA of sarcoma S-180 cells show that artemisinin does not interact directly with DNA. Therefore, we assume that one of the main transporters of artemisinin is human serum albumin. Moreover, the interaction parameters of artemisinin with human serum albumin coincide with those of dexamethasone.

中文翻译：

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青蒿素与人血清白蛋白相互作用的体外和计算机测定

摘要

青蒿素是药用植物青蒿的次生代谢产物，具有抗炎，抗癌，免疫调节，抗菌等特性。然而，青蒿素的药代动力学，药效学，确切分子靶标尚不为人所知。在体外和计算机上研究了青蒿素与人血清白蛋白的相互作用，并与地塞米松进行了比较。青蒿素在不同温度下淬灭人血清白蛋白的荧光发射是根据单一机理进行的，并显示出静态性质，这与地塞米松的作用相似。青蒿素和地塞米松与人血清白蛋白上的药物位点I相互作用。我们首次展示了与Arg218形成氢键的过程，该过程在位点I的药物结合中起着至关重要的作用。地塞米松与Arg218和Arg222的侧链以及Val343的主链形成氢键。两种化合物的人血清白蛋白亚结构域IIA和IIIA的氨基酸一致。对肉瘤S-180细胞DNA电泳迁移率的研究表明，青蒿素不会直接与DNA相互作用。因此，我们假设青蒿素的主要转运蛋白之一是人血清白蛋白。此外，青蒿素与人血清白蛋白的相互作用参数与地塞米松一致。我们假设青蒿素的主要转运蛋白之一是人血清白蛋白。此外，青蒿素与人血清白蛋白的相互作用参数与地塞米松一致。我们假设青蒿素的主要转运蛋白之一是人血清白蛋白。此外，青蒿素与人血清白蛋白的相互作用参数与地塞米松一致。