NEW DRUG R&D OF TRADITIONAL CHINESE MEDICINE: ROLE OF DATA MINING APPROACHES | |
Yang, Hongjun1; Chen, Jianxin2; Tang, Shihuan1; Li, Zhenkun1; Zhen, Yisong3,4,5; Huang, Luqi1; Yi, Jianqiang6 | |
发表期刊 | JOURNAL OF BIOLOGICAL SYSTEMS |
2009-09-01 | |
卷号 | 17期号:3页码:329-347 |
文章类型 | Article |
摘要 | Traditional Chinese Medicine (TCM) documented about 100,000 formulae during past 2500 years. To use and customize them by modern pharmaceutical industry, we make an interdisciplinary effort to study the activity of new drug research and development (R&D) in TCM by introducing data mining approaches to it. We used the migraine formulae as a training set to investigate the possibility of developing new prescription by means of data mining. The activity of new drug R&D of TCM consists of two steps. The first step is to discover new prescriptions (candidates for drugs) from migraine formulae. We present an unsupervised clustering approach based on data mining theory to address the problem in the first step and automatically discover ten new prescriptions from the formulae data. The second step is to develop and optimize the prescriptions discovered by current biomedical approaches. Since Ligusticum chuanxiong Hort (LCH), a kind of herb, is often used to treat migraine and appears in the new prescriptions, we use it as an example and apply supervised regression method based on data mining theory to study the drug R&D activity of TCM. We revised two linear regression methods in order to establish the nonlinear association between three chemical ingredients of LCH and corresponding pharmacological activity and used it to predict the activities. The association is validated by in vitro experiments and we found that the experimental results are consistent with the prediction. Unsupervised clustering and supervised regression cover most part of data mining theory, which means that data mining approaches play a crucial role in new drug R&D in TCM and present a better solution to establish the platform of drug R&D in TCM. |
关键词 | Drug Discovery Traditional Chinese Medicine Data Mining Unsupervised Cluster Supervised Regression Formulae Association Mutual Information |
WOS标题词 | Science & Technology ; Life Sciences & Biomedicine |
关键词[WOS] | TARGET DISCOVERY ; REGRESSION |
收录类别 | SCI |
语种 | 英语 |
WOS研究方向 | Life Sciences & Biomedicine - Other Topics ; Mathematical & Computational Biology |
WOS类目 | Biology ; Mathematical & Computational Biology |
WOS记录号 | WOS:000269124600001 |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://ir.ia.ac.cn/handle/173211/9942 |
专题 | 综合信息系统研究中心 |
通讯作者 | Yang, Hongjun |
作者单位 | 1.China Acad Chinese Med Sci, Inst Chinese Mat Med, Beijing 100700, Peoples R China 2.Beijing Univ Chinese Med, Beijing 100029, Peoples R China 3.Chinese Acad Med Sci, FuWai Hosp, Minist Educ, Key Lab Clin Cardiovasc Genet, Beijing 100037, Peoples R China 4.Chinese Acad Med Sci, Cardiovasc Inst, Beijing 100037, Peoples R China 5.Peking Union Med Coll, Beijing 100021, Peoples R China 6.Chinese Acad Sci, Inst Automat, Key Lab Complex Syst & Intelligence Sci, Beijing 100190, Peoples R China |
推荐引用方式 GB/T 7714 | Yang, Hongjun,Chen, Jianxin,Tang, Shihuan,et al. NEW DRUG R&D OF TRADITIONAL CHINESE MEDICINE: ROLE OF DATA MINING APPROACHES[J]. JOURNAL OF BIOLOGICAL SYSTEMS,2009,17(3):329-347. |
APA | Yang, Hongjun.,Chen, Jianxin.,Tang, Shihuan.,Li, Zhenkun.,Zhen, Yisong.,...&Yi, Jianqiang.(2009).NEW DRUG R&D OF TRADITIONAL CHINESE MEDICINE: ROLE OF DATA MINING APPROACHES.JOURNAL OF BIOLOGICAL SYSTEMS,17(3),329-347. |
MLA | Yang, Hongjun,et al."NEW DRUG R&D OF TRADITIONAL CHINESE MEDICINE: ROLE OF DATA MINING APPROACHES".JOURNAL OF BIOLOGICAL SYSTEMS 17.3(2009):329-347. |
条目包含的文件 | ||||||
文件名称/大小 | 文献类型 | 版本类型 | 开放类型 | 使用许可 | ||
2009 JBS - New Drug (293KB) | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | 浏览 |
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