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	In silico screening of a novel scaffold for fructose-1,6-bisphosatase (FBPase) inhibitors
	Huang, Yunyuan; Chi, Bo; Xu, Yanhong; Song, Rongrong; Wei, Lin; Rao, Li; Feng, Lingling; Ren, Yanliang*; Wan, Jian*
刊名	Journal of Molecular Graphics and Modelling
	2019
卷号	86页码:142-148
关键词	Fructose-1,6-bisphosphate (FBPase) FBPase inhibitors DOX2.0 FBPase fructose-1,6-bisphosphatase FBP fructose-1,6-biphosphate IC50 half maximal inhibitory concentration PAINS Pan Assay Interference T2D Type 2 diabetes SAR structure−activity relationship EGP endogenous glucose production GNG gluconeogenesis AMP adenosine monophosphate DOX Docking ONIOM eXtended ONIOM (XO) DOX2.0 Docking PM7@Mopac XO2 LE ligand efficiency LELP lipophilicity-corrected ligand efficiency
ISSN号	1093-3263
DOI	10.1016/j.jmgm.2018.10.017
URL标识	查看原文
WOS记录号	WOS:000452816200014;PMID:30366190
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/5160161
专题	华中师范大学
作者单位	1.[Chi, Bo 2.Xu, Yanhong 3.Rao, Li 4.Wei, Lin 5.Wan, Jian 6.Ren, Yanliang 7.Wan, J 8.Song, Rongrong 9.Huang, Yunyuan 10.Feng, Lingling] Cent China Normal Univ, Key Lab Pesticide & Chem Biol CCNU, Int Cooperat Base Pesticide & Green Synth Hubei, Minist Educ,Dept Chem, Wuhan 430079, Hubei, Peoples R China.
推荐引用方式 GB/T 7714	Huang, Yunyuan,Chi, Bo,Xu, Yanhong,et al. In silico screening of a novel scaffold for fructose-1,6-bisphosatase (FBPase) inhibitors[J]. Journal of Molecular Graphics and Modelling,2019,86:142-148.
APA	Huang, Yunyuan.,Chi, Bo.,Xu, Yanhong.,Song, Rongrong.,Wei, Lin.,...&Wan, Jian*.(2019).In silico screening of a novel scaffold for fructose-1,6-bisphosatase (FBPase) inhibitors.Journal of Molecular Graphics and Modelling,86,142-148.
MLA	Huang, Yunyuan,et al."In silico screening of a novel scaffold for fructose-1,6-bisphosatase (FBPase) inhibitors".Journal of Molecular Graphics and Modelling 86(2019):142-148.

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