Key Laboratory of Molecular Biophysics of the Ministry of Education, Hubei Key Laboratory of Bioinformatics and Molecular-imaging, Department of Bioinformatics and Systems Biology, College of Life Science and Technology, Huazhong University of Science and Technology, Wuhan, Hubei, 430074, China.
Sci Rep. 2017 Jun 6;7(1):2821. doi: 10.1038/s41598-017-03039-7.
With the advancement of systems biology research, we have already seen great progress in pharmacology studies, especially in network pharmacology. Network pharmacology has been proven to be effective for establishing the "compounds-proteins/genes-diseases" network, and revealing the regulation principles of small molecules in a high-throughput manner, thus would be very effective for the analysis of drug combinations, especially for TCM preparations. In this work, we have proposed the TCM-Mesh system, which records TCM-related information collected from various resources and could serve for network pharmacology analysis for TCM preparations in a high-throughput manner (http://mesh.tcm.microbioinformatics.org/). Currently, the database contains 6,235 herbs, 383,840 compounds, 14,298 genes, 6,204 diseases, 144,723 gene-disease associations, 3,440,231 pairs of gene interactions, 163,221 side effect records and 71 toxic records, and web-based software construct a network between herbs and treated diseases, which will help to understand the underlying mechanisms for TCM preparations at molecular levels. We have used 1,293 FDA-approved drugs, as well as compounds from an herbal material Panax ginseng and a patented drug Liuwei Dihuang Wan (LDW) for evaluating our database. By comparison of different databases, as well as checking against literature, we have demonstrated the completeness, effectiveness, and accuracy of our database.
随着系统生物学研究的进展,我们已经在药理学研究中看到了巨大的进步,特别是在网络药理学方面。网络药理学已被证明在建立“化合物-蛋白质/基因-疾病”网络方面非常有效,并且能够高通量地揭示小分子的调节原理,因此对于分析药物组合非常有效,特别是对于中药制剂。在这项工作中,我们提出了 TCM-Mesh 系统,该系统记录了从各种资源中收集的与中药相关的信息,可以高通量地进行中药制剂的网络药理学分析(http://mesh.tcm.microbioinformatics.org/)。目前,该数据库包含 6235 种草药、383840 种化合物、14298 个基因、6204 种疾病、144723 个基因-疾病关联、3440231 对基因相互作用、163221 条副作用记录和 71 条毒性记录,以及基于网络的软件构建了草药和治疗疾病之间的网络,这有助于从分子水平理解中药制剂的潜在机制。我们使用了 1293 种 FDA 批准的药物,以及草药人参和专利药物六味地黄丸(LDW)中的化合物,来评估我们的数据库。通过与不同数据库的比较,以及与文献的核对,我们证明了我们数据库的完整性、有效性和准确性。