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The critical factors affecting typical organophosphate flame retardants to mimetic biomembrane: An integrated in vitro and in silico study
期刊论文
CHEMOSPHERE, 2019, 卷号: 226, 页码: 159-165
作者:
Wang, XQ
;
Meng, XJ
;
Li, F
;
Ding, JW
;
Ji, CL
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2020/07/08
Organophosphate flame retardants (OPFRs)
Quantitative structure-activity relationship (QSAR)
Mimetic biomembrane
Electrochemical impedance spectroscopy (EIS)
Partial least squares (PLS)
Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176
作者:
Li, Yingying
;
Peng, Jiale
;
Li, Penghua
;
Du, Haibo
;
Li, Yaping
收藏
  |  
浏览/下载:66/0
  |  
提交时间:2019/07/29
Pharmacophore modeling
Molecular docking
Quantitative structure activity relationship (QSAR)
Molecular dynamics
AMPK
Activator
Rate constants of hydroxyl radicals reaction with different dissociation species of fluoroquinolones and sulfonamides: Combined experimental and QSAR studies
期刊论文
WATER RESEARCH, 2019, 卷号: 166, 页码: 115083
作者:
Luo, Xiang
;
Wei, Xiaoxuan
;
Chen, Jingwen
;
Xie, Qing
;
Yang, Xianhai
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/02
Antibiotics
Dissociation forms
Hydroxyl radicals
Reaction rate constants
Quantitative structure-activity relationship (QSAR)
Affinities of organophosphate flame retardants to tumor suppressor gene p53: An integrated in vitro and in silico study
期刊论文
TOXICOLOGY LETTERS, 2015, 卷号: 232, 期号: 2, 页码: 533-541
作者:
Li, Fei
;
Cao, Lulu
;
Li, Xuehua
;
Li, Na
;
Wang, Zijian
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2016/03/11
Organophosphate flame retardants (OPFRs)
p53
Docking
Quantitative structure-activity relationship (QSAR)
Binding affinity
Partial least squares (PLS)
Affinities of organophosphate flame retardants to tumor suppressor gene p53: An integrated in vitro and in silico study
期刊论文
TOXICOLOGY LETTERS, 2015, 卷号: 232, 期号: 2, 页码: 533-541
作者:
Li, Fei
;
Wu, Huifeng
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2015/07/31
Organophosphate flame retardants (OPFRs)
p53
Docking
Quantitative structure-activity relationship (QSAR)
Binding affinity
Partial least squares (PLS)
In silico model for predicting soil organic carbon normalized sorption coefficient (K-oc) of organic chemicals
期刊论文
CHEMOSPHERE, 2015, 卷号: 119, 页码: 438-444
作者:
Wang, Ya
;
Chen, Jingwen
;
Yang, Xianhai
;
Lyakurwa, Felichesmi
;
Li, Xuehua
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/09
Soil organic carbon normalized sorption coefficient (K-oc)
Quantitative structure-activity relationship (QSAR)
Multiple linear regression (MLR)
Predictive ability
Affinities of organophosphate flame retardants to tumor suppressor gene p53: An integrated in vitro and in silico study
期刊论文
TOXICOLOGY LETTERS, 2015, 卷号: 232, 页码: 533-541
作者:
Li, Fei
;
Cao, Lulu
;
Li, Xuehua
;
Li, Na
;
Wang, Zijian
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/09
Organophosphate flame retardants (OPFRs)
p53
Docking
Quantitative structure-activity relationship (QSAR)
Binding affinity
Partial least squares (PLS)
DFT-based quantitative structure-activity relationship studies for antioxidant peptides
期刊论文
Structural Chemistry, 2015, 卷号: 26, 期号: 3, 页码: 739-747
作者:
Cheng, Yunhui*
;
Luo, Fang
;
Zeng, Zhiyin
;
Wen, Li
;
Xiao, Zhongliang
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/28
Antioxidant peptides
Density functional theory (DFT)
Quantitative structure-activity relationship (QSAR)
Scavenging of free radical
The interaction between organic phosphate ester and p53: An integrated experimental and in silico approach
期刊论文
MARINE POLLUTION BULLETIN, 2014, 卷号: 85, 期号: 2, 页码: 516-521
作者:
Li, Fei
;
Li, Renmin
;
Yang, Xianhai
;
You, Liping
;
Zhao, Jianmin
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2015/11/02
Organophosphate flame retardants (OPFRs) p53
Docking
Quantitative structure-activity relationship (QSAR)
Binding affinity
Multiple linear regression (MLR)
The interaction between organic phosphate ester and p53: An integrated experimental and in silico approach
期刊论文
MARINE POLLUTION BULLETIN, 2014, 卷号: 85, 期号: 2, 页码: 516-521
作者:
Li, Fei
;
Li, Renmin
;
Yang, Xianhai
;
You, Liping
;
Zhao, Jianmin
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2015/07/31
Organophosphate flame retardants (OPFRs) p53
Docking
Quantitative structure-activity relationship (QSAR)
Binding affinity
Multiple linear regression (MLR)
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