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3D-QSAR/HQSAR-based analysis of bioconcentration and molecular modification of monophenyl aromatic compounds.
期刊论文
Turkish Journal of Chemistry, 2019, 卷号: Vol.43 No.1, 页码: 286-306
作者:
Qing LI
;
Wenwen GU
;
Yu LI
收藏
  |  
浏览/下载:57/0
  |  
提交时间:2019/12/17
QSAR
models
*BIOCONCENTRATION
*AROMATIC
compounds
*PHENYL
compounds
*ELECTROSTATICS
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 67, 期号: 1, 页码: 38-47
作者:
Zhang, Shuqun
;
Lin, Zichun
;
Pu, Yinglan
;
Zhang, Yunqin
;
Zhang, Li
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2017/05/19
BACE1
AD
HQSAR
CoMFA
CoMSIA
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 67, 页码: 38-47
作者:
Zhang, Shuqun
;
Lin, Zichun
;
Pu, Yinglan
;
Zhang, Yunqin
;
Zhang, Li
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2019/01/08
BACE1
AD
HQSAR
CoMFA
CoMSIA
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors
期刊论文
Comput Biol Chem, 2017, 卷号: Vol.67, 页码: 38-47
作者:
Zhang, SQ
;
Lin, ZC
;
Pu, YL
;
Zhang, YQ
;
Zhang, L
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/02/25
BACE1
AD
HQSAR
CoMFA
CoMSIA
Combined HQSAR, topomer CoMFA, homology modeling and docking studies on triazole derivatives as SGLT2 inhibitors
期刊论文
FUTURE MEDICINAL CHEMISTRY, 2017, 卷号: 9, 期号: 9, 页码: 847-858
作者:
Yu, Shuling[1]
;
Yuan, Jintao[2]
;
Zhang, Yi[3]
;
Gao, Shufang[4]
;
Gan, Ying[5]
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  |  
浏览/下载:10/0
  |  
提交时间:2019/12/23
hologram QSAR
molecular docking
topomer CoMFA
Synthesis, cytotoxic activity, and 2D-and 3D-QSAR studies of 19-carboxyl-modified novel isosteviol derivatives as potential anticancer agents
期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2017, 卷号: 89, 期号: 6, 页码: 870-887
作者:
Liu Cong-Jun[1]
;
Zhang Tao[2]
;
Yu Shu-Ling[3]
;
Dai Xing-Jie[4]
;
Wu Ya[5]
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/12/23
2D-HQSAR
3D-topomer CoMFA
cytotoxicity
isosteviol derivatives
synthesis
Design and prediction of new acetylcholinesterase inhibitor via quantitative structure activity relationship of huprines derivatives
期刊论文
ARCHIVES OF PHARMACAL RESEARCH, 2016, 卷号: 39, 期号: 5, 页码: 591-602
作者:
Zhang, Shuqun
;
Hou, Bo
;
Yang, Huaiyu
;
Zuo, Zhili
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  |  
浏览/下载:11/0
  |  
提交时间:2016/08/22
AChE
AD
HQSAR
CoMFA
CoMSIA
Huprines inhibitors
Design and prediction of new acetylcholinesterase inhibitor via quantitative structure activity relationship of huprines derivatives
期刊论文
ARCHIVES OF PHARMACAL RESEARCH, 2016, 卷号: 39, 期号: 5, 页码: 591-602
作者:
Zhang, Shuqun
;
Hou, Bo
;
Yang, Huaiyu
;
Zuo, Zhili
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/01/08
AChE
AD
HQSAR
CoMFA
CoMSIA
Huprines inhibitors
Syntheses, cytotoxic activity evaluation and HQSAR study of 1,2,3-triazole-linked isosteviol derivatives as potential anticancer agents
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2016, 卷号: 26, 期号: 22, 页码: 5455-5461
作者:
Liu Cong-Jun[1]
;
Liu Yan-Ping[2]
;
Yu Shu-Ling[3]
;
Dai Xing-Jie[4]
;
Zhang Tao[5]
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/23
Isosteviol
Synthesis
Cytotoxicity
Click chemistry
HQSAR
Synthesis, cytotoxic activity evaluation and HQSAR study of novel isosteviol derivatives as potential anticancer agents
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2016, 卷号: 115, 页码: 26-40
作者:
Liu, Cong-Jun[1]
;
Yu, Shu-Ling[2]
;
Liu, Yan-Ping[3]
;
Dai, Xing-Jie[4]
;
Wu, Ya[5]
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/23
Isosteviol
Synthesis
Anticancer activity
HQSAR
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