HIM-herbal ingredients in-vivo metabolism database
文献类型：期刊论文
| 作者 | Kang, Hong1; Tang, Kailin1,2; Liu, Qi1; Sun, Yi1; Huang, Qi1; Zhu, Ruixin1; Gao, Jun1,3; Zhang, Duanfeng1; Huang, Chenggang4 ; Cao, Zhiwei1,2
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| 刊名 | JOURNAL OF CHEMINFORMATICS
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| 出版日期 | 2013-05-31 |
| 卷号 | 5 |
| 关键词 | TCM In vivo Metabolism Metabolite Biotransformation Structure search |
| ISSN号 | 1758-2946 |
| DOI | 10.1186/1758-2946-5-28 |
| 文献子类 | Article |
| 英文摘要 | Background: Herbal medicine has long been viewed as a valuable asset for potential new drug discovery and herbal ingredients' metabolites, especially the in vivo metabolites were often found to gain better pharmacological, pharmacokinetic and even better safety profiles compared to their parent compounds. However, these herbal metabolite information is still scattered and waiting to be collected. Description: HIM database manually collected so far the most comprehensive available in-vivo metabolism information for herbal active ingredients, as well as their corresponding bioactivity, organs and/or tissues distribution, toxicity, ADME and the clinical research profile. Currently HIM contains 361 ingredients and 1104 corresponding in-vivo metabolites from 673 reputable herbs. Tools of structural similarity, substructure search and Lipinski's Rule of Five are also provided. Various links were made to PubChem, PubMed, TCM-ID (Traditional Chinese Medicine Information database) and HIT (Herbal ingredients' targets databases). Conclusions: A curated database HIM is set up for the in vivo metabolites information of the active ingredients for Chinese herbs, together with their corresponding bioactivity, toxicity and ADME profile. HIM is freely accessible to academic researchers at http://www.bioinformatics.org.cn/. |
| WOS关键词 | TRADITIONAL CHINESE MEDICINE ; DRUG DISCOVERY ; ACTIVE INGREDIENTS ; MORPHINE-6-GLUCURONIDE ; CHROMATOGRAPHY ; MECHANISM ; MORPHINE |
| 资助项目 | Ministry of Science and Technology China[2012ZX10005001-004] ; Ministry of Science and Technology China[2010CB833601] ; Ministry of Science and Technology China[2008BAI64B01] ; Ministry of Science and Technology China[2008BAI64B02] ; Ministry of Science and Technology China[2009FY120100] ; National Natural Science Foundation of China[30900832] ; National Natural Science Foundation of China[31171272] ; National Natural Science Foundation of China[31100956] ; National Natural Science Foundation of China[61173117] ; Research Fund for the Doctoral Program of Higher Education of China[20100072110008] ; Shanghai Pujiang talent funding[11PJ1407400] ; National 863 program[2012AA020405] |
| WOS研究方向 | Chemistry ; Computer Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000320103100001 |
| 出版者 | BIOMED CENTRAL LTD |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/277610]  |
| 专题 | 上海中药现代化研究中心 |
| 通讯作者 | Huang, Chenggang |
| 作者单位 | 1.Tongji Univ, Sch Life Sci & Technol, Shanghai 200092, Peoples R China; 2.Shanghai Ctr Bioinformat & Technol, Shanghai 201203, Peoples R China; 3.Shanghai Maritime Univ, Coll Informat Engn, Shanghai 201306, Peoples R China; 4.Chinese Acad Sci, Shanghai Inst Mat Med, Shanghai Inst Biol Sci, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Kang, Hong,Tang, Kailin,Liu, Qi,et al. HIM-herbal ingredients in-vivo metabolism database[J]. JOURNAL OF CHEMINFORMATICS,2013,5. |
| APA | Kang, Hong.,Tang, Kailin.,Liu, Qi.,Sun, Yi.,Huang, Qi.,...&Cao, Zhiwei.(2013).HIM-herbal ingredients in-vivo metabolism database.JOURNAL OF CHEMINFORMATICS,5. |
| MLA | Kang, Hong,et al."HIM-herbal ingredients in-vivo metabolism database".JOURNAL OF CHEMINFORMATICS 5(2013). |
入库方式： OAI收割
来源：上海药物研究所
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