Beijing University of Chinese Medicine, Chaoyang District, Beijing 100029, China.
Key Laboratory of Intelligent Information Processing, Advanced Computer Research Center, Institute of Computing Technology, Chinese Academy of Sciences, Beijing 100190, China.
Nucleic Acids Res. 2021 Jan 8;49(D1):D1197-D1206. doi: 10.1093/nar/gkaa1063.
Pharmacotranscriptomics has become a powerful approach for evaluating the therapeutic efficacy of drugs and discovering new drug targets. Recently, studies of traditional Chinese medicine (TCM) have increasingly turned to high-throughput transcriptomic screens for molecular effects of herbs/ingredients. And numerous studies have examined gene targets for herbs/ingredients, and link herbs/ingredients to various modern diseases. However, there is currently no systematic database organizing these data for TCM. Therefore, we built HERB, a high-throughput experiment- and reference-guided database of TCM, with its Chinese name as BenCaoZuJian. We re-analyzed 6164 gene expression profiles from 1037 high-throughput experiments evaluating TCM herbs/ingredients, and generated connections between TCM herbs/ingredients and 2837 modern drugs by mapping the comprehensive pharmacotranscriptomics dataset in HERB to CMap, the largest such dataset for modern drugs. Moreover, we manually curated 1241 gene targets and 494 modern diseases for 473 herbs/ingredients from 1966 references published recently, and cross-referenced this novel information to databases containing such data for drugs. Together with database mining and statistical inference, we linked 12 933 targets and 28 212 diseases to 7263 herbs and 49 258 ingredients and provided six pairwise relationships among them in HERB. In summary, HERB will intensively support the modernization of TCM and guide rational modern drug discovery efforts. And it is accessible through http://herb.ac.cn/.
基于转录组的药物基因组学已成为评估药物治疗效果和发现新药物靶点的有力方法。最近,对中药(TCM)的研究越来越多地转向高通量转录组筛选以研究草药/成分的分子作用。许多研究已经研究了草药/成分的基因靶点,并将草药/成分与各种现代疾病联系起来。然而,目前还没有系统的数据库来组织这些 TCM 数据。因此,我们构建了 HERB,这是一个基于高通量实验和参考指导的 TCM 数据库,其中文名是本草数据库。我们重新分析了 1037 个高通量实验中 6164 个基因表达谱,这些实验评估了 TCM 草药/成分,通过将 HERB 中的综合药物基因组学数据集映射到 CMap(最大的现代药物数据集),生成了 TCM 草药/成分与 2837 种现代药物之间的联系。此外,我们从最近发表的 1966 篇参考文献中手动整理了 473 种草药/成分的 1241 个基因靶点和 494 种现代疾病的信息,并将这些新信息交叉参考到包含这些药物信息的数据库中。结合数据库挖掘和统计推断,我们将 12933 个靶点和 28212 种疾病与 7263 种草药和 49258 种成分联系起来,并在 HERB 中提供了它们之间的 6 种两两关系。总之,HERB 将深入支持 TCM 的现代化,并指导合理的现代药物发现工作。它可以通过 http://herb.ac.cn/ 访问。