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通过计算靶点筛选对丹酚酸A作用机制的系统理解

Systematic Understanding of the Mechanism of Salvianolic Acid A via Computational Target Fishing.

作者信息

Chen Shao-Jun, Cui Ming-Chao

机构信息

Department of Traditional Chinese Medicine, Zhejiang Pharmaceutical College, 888 Yinxian Avenue Eastern Section, Ningbo 315100, China.

出版信息

Molecules. 2017 Apr 17;22(4):644. doi: 10.3390/molecules22040644.

Abstract

Salvianolic acid A (SAA) is one of the most abundant water-soluble and potent anti-oxidative compounds isolated from Danshen, a traditional Chinese medicine. A systematic overview of its mechanism of action is yet to be performed. In the present study, the druggability of SAA was measured using the TCMSP server, and potential targets of SAA were identified by PharmMapper and DRAR-CPI. Intersecting targets were then assessed by GeneMANIA and GO pathway analysis, and drug-target-pathway networks were constructed to give a visual view. The results showed that SAA has good druggability, and 13 putative protein targets were identified. Network analysis showed that these targets were associated with cancer, metabolism and other physiological processes. In summary, SAA is predicted to target multiple proteins and pathways to form a network that exerts systematic pharmacological effects.

摘要

丹酚酸A(SAA)是从传统中药丹参中分离出的含量最为丰富的水溶性强效抗氧化化合物之一。其作用机制的系统综述尚未开展。在本研究中,使用中药系统药理学数据库与分析平台(TCMSP)服务器测定SAA的成药性,并通过中药靶点预测平台(PharmMapper)和药物反应活性预测数据库(DRAR-CPI)鉴定SAA的潜在靶点。然后通过基因共表达网络分析工具(GeneMANIA)和基因本体(GO)通路分析评估交集靶点,并构建药物-靶点-通路网络以直观呈现。结果表明,SAA具有良好的成药性,并鉴定出13个假定的蛋白质靶点。网络分析表明,这些靶点与癌症、代谢及其他生理过程相关。总之,预测SAA靶向多种蛋白质和通路,形成一个发挥系统性药理作用的网络。

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