Pathway Pattern-based prediction of active drug components and gene targets from H1N1 influenza's treatment with maxingshigan-yinqiaosan formula | |
Dai, Wen1; Chen, Jianxin2; Lu, Peng1,3; Gao, Yibo1; Chen, Lin1; Liu, Xi1; Song, Jianglong1; Xu, Haiyu3; Chen, Di1; Yang, Yiping1; Yang, Hongjun3; Huang, Luqi3 | |
发表期刊 | MOLECULAR BIOSYSTEMS |
2013 | |
卷号 | 9期号:3页码:375-385 |
文章类型 | Article |
摘要 | Traditional Chinese Medicine (TCM) remedies are composed of different chemical compounds. To understand the underlying pharmacological basis, we need to explore the active components, which function systematically against multiple gene targets to exert efficacy. Predicting active component-gene target interactions could help us decipher the mechanism of action of TCM. Here, we introduce a Pathway Pattern-based method to prioritize the 153 candidate compounds and 7895 associated genes using the extracted Pathway Pattern, which is made up of groups of pathways. The gene prioritization result is compared to previous literature findings to demonstrate the top ranked genes' roles in the pathogenesis of H1N1 influenza. Further, molecular docking is utilized to validate compounds' effects through docking compounds into drug targets of oseltamivir. After setting thresholds, 16 active components, 29 gene targets and 162 active component-gene target interactions are finally identified to elucidate the pharmacology of maxingshigan-yinqiaosan formula. This novel strategy is expected to serve as a springboard for the efforts to standardize and modernize TCM. |
WOS标题词 | Science & Technology ; Life Sciences & Biomedicine |
关键词[WOS] | TRADITIONAL CHINESE MEDICINE ; MOLECULAR NETWORKS ; CRYSTAL-STRUCTURE ; VIRUS ; OSELTAMIVIR ; INFECTION ; DISCOVERY ; PRIORITIZATION ; DISEASE ; KNOWLEDGEBASE |
收录类别 | SCI |
语种 | 英语 |
WOS研究方向 | Biochemistry & Molecular Biology |
WOS类目 | Biochemistry & Molecular Biology |
WOS记录号 | WOS:000314473500006 |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://ir.ia.ac.cn/handle/173211/4163 |
专题 | 综合信息系统研究中心 |
作者单位 | 1.Chinese Acad Sci, Inst Automat, Beijing 100190, Peoples R China 2.Beijing Univ Chinese Med, Beijing 100029, Peoples R China 3.China Acad Chinese Med Sci, Inst Chinese Mat Med, Beijing 100170, Peoples R China |
第一作者单位 | 中国科学院自动化研究所 |
推荐引用方式 GB/T 7714 | Dai, Wen,Chen, Jianxin,Lu, Peng,et al. Pathway Pattern-based prediction of active drug components and gene targets from H1N1 influenza's treatment with maxingshigan-yinqiaosan formula[J]. MOLECULAR BIOSYSTEMS,2013,9(3):375-385. |
APA | Dai, Wen.,Chen, Jianxin.,Lu, Peng.,Gao, Yibo.,Chen, Lin.,...&Huang, Luqi.(2013).Pathway Pattern-based prediction of active drug components and gene targets from H1N1 influenza's treatment with maxingshigan-yinqiaosan formula.MOLECULAR BIOSYSTEMS,9(3),375-385. |
MLA | Dai, Wen,et al."Pathway Pattern-based prediction of active drug components and gene targets from H1N1 influenza's treatment with maxingshigan-yinqiaosan formula".MOLECULAR BIOSYSTEMS 9.3(2013):375-385. |
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