科研之友
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摘要
The traditional Chinese medicine (TCM) has a significant effect on the treatment of cardiovascular diseases and some has been widely used in clinical therapy, such as Uncaria, Astragalus and Motherwort. The previous research found that Rhy could lower blood pressure; Calycosin in Astragalus could relax vascular smooth muscle, protect cardiovascular and cerebrovascular; and Leonurine could increase telangiectasia, improve abnormity of hemorheology; however, the mechanism of these was not clear. Here, the structure of receptor AT(1), which was the main target of cardiovascular diseases, has been modeled based on the crystal structure of bovine rhodopsin; meanwhile, the interaction of receptor AT(1) antagonists to receptor AT(1) was compared with that of the active compounds in TCMs. The results indicated that Calycosin and Leonurine could bind the residues Try113, Lys199, Gln257, Ser105 by hydrogen bonds, and the mechanism was similar with receptor AT(1) antagonists which bound with the residues His183, Lys199, His256, Gln257, Ser105, Ser109, Tyr113, Asn200. In this study, the mechanism of some TCM active compounds was explained on molecular level, which provided a foundation for further screening and rational design of AT(1)R antagonists from traditional Chinese medicine.
