方网:运用结构网络算法从中医临床有效方剂中挖掘草药隐藏知识。
FangNet: Mining herb hidden knowledge from TCM clinical effective formulas using structure network algorithm.
作者信息
Bu Dechao, Xia Yan, Zhang JiaYuan, Cao Wanchen, Huo Peipei, Wang Zhihao, He Zihao, Ding Linyi, Wu Yang, Zhang Shan, Gao Kai, Yu He, Liu Tiegang, Ding Xia, Gu Xiaohong, Zhao Yi
机构信息
Key Laboratory of Intelligent Information Processing, Advanced Computer Research Center, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China.
Beijing University of Chinese Medicine, ChaoYang District, Beijing 100029, China.
出版信息
Comput Struct Biotechnol J. 2020 Dec 4;19:62-71. doi: 10.1016/j.csbj.2020.11.036. eCollection 2021.
The use of herbs to treat various human diseases has been recorded for thousands of years. In Asia's current medical system, numerous herbal formulas have been repeatedly verified to confirm their effectiveness in different periods, which is a great resource for drug innovation and discovery. Through the mining of these clinical effective formulas by network pharmacology and bioinformatics analysis, important biologically active ingredients derived from these natural products might be discovered. As modern medicine requires a combination of multiple drugs for the treatment of complex diseases, previously clinical formulas are also combinations of various herbs according to the main causes and accompanying symptoms. However, the herbs that play a major role in the treatment of diseases are always unclear. Therefore, how to rank each herb's relative importance and determine the core herbs, is the first step to assisting herb selection for active ingredients discovery. To solve this problem, we built the platform FangNet, which ranks all herbs on their relative topological importance using the PageRank algorithm, based on the constructed symptom-herb network from a collection of clinical empirical prescriptions. Three types of herb hidden knowledge, including herb importance rank, herb-herb co-occurrence, and associations to symptoms, were provided in an interactive visualization. Moreover, FangNet has designed role-based permission for teams to store, analyze, and jointly interpret their clinical formulas, in an easy and secure collaboration environment, aiming at creating a central hub for massive symptom-herb connections. FangNet can be accessed at http://fangnet.org or http://fangnet.herb.ac.cn.
使用草药治疗各种人类疾病已有数千年的记载。在亚洲当前的医疗体系中,众多草药配方在不同时期经过反复验证,证实了其有效性,这是药物创新和发现的巨大资源。通过网络药理学和生物信息学分析挖掘这些临床有效配方,可能会发现源自这些天然产物的重要生物活性成分。由于现代医学治疗复杂疾病需要多种药物联合使用,以前的临床配方也是根据主要病因和伴随症状将各种草药组合而成。然而,在疾病治疗中起主要作用的草药往往并不明确。因此,如何对每种草药的相对重要性进行排名并确定核心草药,是协助选择草药以发现活性成分的第一步。为了解决这个问题,我们构建了FangNet平台,该平台基于从临床经验处方集合构建的症状-草药网络,使用PageRank算法根据相对拓扑重要性对所有草药进行排名。在交互式可视化中提供了三种草药隐藏知识类型,包括草药重要性排名、草药-草药共现以及与症状的关联。此外,FangNet为团队设计了基于角色的权限,以便在轻松安全的协作环境中存储、分析和共同解读他们的临床配方,旨在创建一个大规模症状-草药连接的中心枢纽。可通过http://fangnet.org或http://fangnet.herb.ac.cn访问FangNet。