Drug repurposing to target Ebola virus replication and virulence using structural systems pharmacology

doi:10.1186/s12859-016-0941-9

CORC > 合肥物质科学研究院 > 中国科学院合肥物质科学研究院 > 中科院强磁场科学中心

	Drug repurposing to target Ebola virus replication and virulence using structural systems pharmacology
	Zhao, Zheng 1,2; Martin, Che 3; Fan, Raymond 4; Bourne, Philip E.5; Xie, Lei 3,6
刊名	BMC BIOINFORMATICS
	2016-02-18
卷号	17 期号:无页码:1-12
关键词	Drug Repositioning Infectious Disease Indinavir Sinefungin Binding Site Similarity Rna-directed Rna Polymerase Vp24
DOI	10.1186/s12859-016-0941-9
文献子类	Article
英文摘要	Background: The recent outbreak of Ebola has been cited as the largest in history. Despite this global health crisis, few drugs are available to efficiently treat Ebola infections. Drug repurposing provides a potentially efficient solution to accelerating the development of therapeutic approaches in response to Ebola outbreak. To identify such candidates, we use an integrated structural systems pharmacology pipeline which combines proteome-scale ligand binding site comparison, protein-ligand docking, and Molecular Dynamics (MD) simulation.
WOS关键词	RESISTANT ACINETOBACTER-BAUMANNII ; MOLECULAR-DYNAMICS SIMULATIONS ; HUMAN-IMMUNODEFICIENCY-VIRUS ; LIGAND DOCKING ; HIV-INTEGRASE ; SINEFUNGIN ; BINDING ; INHIBITOR ; DISCOVERY ; PROTEINS
WOS研究方向	Biochemistry & Molecular Biology ; Biotechnology & Applied Microbiology ; Mathematical & Computational Biology
语种	英语
WOS记录号	WOS:000370232900001
资助机构	National Institute of Health(R01-LM011986) ; National Institute of Health(R01-LM011986) ; National Institute of Health(R01-LM011986) ; National Institute of Health(R01-LM011986) ; National Science Foundation(CNS-0958379 ; National Science Foundation(CNS-0958379 ; National Science Foundation(CNS-0958379 ; National Science Foundation(CNS-0958379 ; City University of New York High Performance Computing Center at the College of Staten Island ; City University of New York High Performance Computing Center at the College of Staten Island ; City University of New York High Performance Computing Center at the College of Staten Island ; City University of New York High Performance Computing Center at the College of Staten Island ; CNS-0855217) ; CNS-0855217) ; CNS-0855217) ; CNS-0855217) ; National Institute of Health(R01-LM011986) ; National Institute of Health(R01-LM011986) ; National Institute of Health(R01-LM011986) ; National Institute of Health(R01-LM011986) ; National Science Foundation(CNS-0958379 ; National Science Foundation(CNS-0958379 ; National Science Foundation(CNS-0958379 ; National Science Foundation(CNS-0958379 ; City University of New York High Performance Computing Center at the College of Staten Island ; City University of New York High Performance Computing Center at the College of Staten Island ; City University of New York High Performance Computing Center at the College of Staten Island ; City University of New York High Performance Computing Center at the College of Staten Island ; CNS-0855217) ; CNS-0855217) ; CNS-0855217) ; CNS-0855217)
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/22286]
专题	合肥物质科学研究院_中科院强磁场科学中心
作者单位	1.Chinese Acad Sci, High Magnet Field Lab, Hefei, Peoples R China 2.NIH, Natl Ctr Biotechnol Informat, Natl Lib Med, Bldg 10, Bethesda, MD 20892 USA 3.CUNY, Grad Ctr, New York, NY USA 4.CUNY Hunter Coll, Dept Chem, New York, NY 10021 USA 5.NIH, Off Director, Bldg 10, Bethesda, MD 20892 USA 6.CUNY Hunter Coll, Dept Comp Sci, New York, NY 10021 USA
推荐引用方式 GB/T 7714	Zhao, Zheng,Martin, Che,Fan, Raymond,et al. Drug repurposing to target Ebola virus replication and virulence using structural systems pharmacology[J]. BMC BIOINFORMATICS,2016,17(无):1-12.
APA	Zhao, Zheng,Martin, Che,Fan, Raymond,Bourne, Philip E.,&Xie, Lei.(2016).Drug repurposing to target Ebola virus replication and virulence using structural systems pharmacology.BMC BIOINFORMATICS,17(无),1-12.
MLA	Zhao, Zheng,et al."Drug repurposing to target Ebola virus replication and virulence using structural systems pharmacology".BMC BIOINFORMATICS 17.无(2016):1-12.