Multiscale Modeling of Drug-induced Effects of ReDuNing Injection on   Human Disease: From Drug Molecules to Clinical Symptoms of Disease

doi:10.1038/srep10064

CORC > 北京大学 > 化学与分子工程学院

	Multiscale Modeling of Drug-induced Effects of ReDuNing Injection on Human Disease: From Drug Molecules to Clinical Symptoms of Disease
	Luo, Fang ; Gu, Jiangyong ; Zhang, Xinzhuang ; Chen, Lirong ; Cao, Liang ; Li, Na ; Wang, Zhenzhong ; Xiao, Wei ; Xu, Xiaojie
刊名	SCIENTIFIC REPORTS
	2015
关键词	TRADITIONAL CHINESE MEDICINE ALPHA-GLUCOSIDASE NATURAL-PRODUCTS PHARMACOLOGY LUTEOLIN NETWORK CANCER INFLUENZA DISCOVERY INHIBITION
DOI	10.1038/srep10064
英文摘要	ReDuNing injection (RDN) is a patented traditional Chinese medicine, and the components of it were proven to have antiviral and important anti-inflammatory activities. Several reports showed that RDN had potential effects in the treatment of influenza and pneumonia. Though there were several experimental reports about RDN, the experimental results were not enough and complete due to that it was difficult to predict and verify the effect of RDN for a large number of human diseases. Here we employed multiscale model by integrating molecular docking, network pharmacology and the clinical symptoms information of diseases and explored the interaction mechanism of RDN on human diseases. Meanwhile, we analyzed the relation among the drug molecules, target proteins, biological pathways, human diseases and the clinical symptoms about it. Then we predicted potential active ingredients of RDN, the potential target proteins, the key pathways and related diseases. These attempts may offer several new insights to understand the pharmacological properties of RDN and provide benefit for its new clinical applications and research.; National Key Special Project of Science and Technology for Innovation Drugs [2012ZX09501001-004, 2013ZX09402202, 2013ZX09402203]; Enterprise Academician Workstation of Jiangsu Province, PR China [BM2011027]; SCI(E); PubMed; ARTICLE; lirongchen@pku.edu.cn; xw_kanion@163.com; xiaojxu@pku.edu.cn; 10064; 5
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/420021]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Luo, Fang,Gu, Jiangyong,Zhang, Xinzhuang,et al. Multiscale Modeling of Drug-induced Effects of ReDuNing Injection on Human Disease: From Drug Molecules to Clinical Symptoms of Disease[J]. SCIENTIFIC REPORTS,2015.
APA	Luo, Fang.,Gu, Jiangyong.,Zhang, Xinzhuang.,Chen, Lirong.,Cao, Liang.,...&Xu, Xiaojie.(2015).Multiscale Modeling of Drug-induced Effects of ReDuNing Injection on Human Disease: From Drug Molecules to Clinical Symptoms of Disease.SCIENTIFIC REPORTS.
MLA	Luo, Fang,et al."Multiscale Modeling of Drug-induced Effects of ReDuNing Injection on Human Disease: From Drug Molecules to Clinical Symptoms of Disease".SCIENTIFIC REPORTS (2015).