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Molecular Modeling Studies on Carbazole Carboxamide Based BTK Inhibitors Using Docking and Structure-Based 3D-QSAR
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 4
作者:
Li, Rui
;
Du, Yongli
;
Gao, Zhipei
;
Shen, Jingkang
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2019/01/08
rheumatoid arthritis (RA)
Broton's tyrosine kinase (BTK)
carbazole carboxamide derivatives
3D-QSAR
comparative molecular field analysis (CoMFA)
comparative molecular similarity indices analysis (CoMSIA)
Structure-Activity Relationship of Xanthones as Inhibitors of Xanthine Oxidase
期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 2, 页码: 365
作者:
Zhou, Ling-Yun
;
Peng, Jia-Le
;
Wang, Jun-Ming
;
Geng, Yuan-Yuan
;
Zuo, Zhi-Li
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2018/05/08
Xanthone
Xanthine Oxidase Inhibitors
3d-qsar
Gout
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
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: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
Quantitative Structure Tribo-Ability Relationship for Organic Compounds as Lubricant Base Oils Using CoMFA and CoMSIA
期刊论文
Journal of Tribology, 2016, 卷号: 138, 期号: 3, 页码: 031802
作者:
Gao, Xinlei*
;
Liu, Denghui
;
Wang, Zhan
;
Dai, Kang*
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/27
comparative molecular field analysis
comparative molecular similarity index analysis
lubricant base oil
quantitative structure tribo-ability relationship
wear
Ligand Efficiency Outperforms pIC(50) on Both 2D MLR and 3D CoMFA Models: A Case Study on AR Antagonists
期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2015, 卷号: 86, 期号: 6, 页码: 1501-1517
作者:
Li, JZ
;
Bai, F
;
Liu, HX
;
Gramatica, P
;
Li, JZ (reprint author), Lanzhou Univ, Sch Pharm, 199 West Donggang Rd, Lanzhou 730000, Peoples R China.
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/01/11
androgen receptor antagonist
comparative molecular field analysis
ligand efficiency
multiple linear regression
surface efficiency index
Synthesis, Biological Activities, and Quantitative Structure-Activity Relationship (QSAR) Study of Novel Camptothecin Analogues
期刊论文
MOLECULES, 2015, 卷号: 20, 期号: 5, 页码: 8634-8653
作者:
Wu, D
;
Zhang, SY
;
Liu, YQ
;
Wu, XB
;
Zhu, GX
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/01/11
camptothecin
synthesis
biological activity
SAR analysis
CoMFA
A Combined Quantitative Structure-Activity Relationship Research of Quinolinone Derivatives as Androgen Receptor Antagonists
期刊论文
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2015, 卷号: 18, 期号: 9, 页码: 834-845
作者:
Wang, YW
;
Bai, F
;
Cao, H
;
Li, JZ
;
Liu, HX
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/01/11
Androgen receptor (AR)
comparative molecular field analysis (CoMFA)
prostate cancer (PCa)
comparative molecular similarity indices analysis (CoMSIA)
multiple linear regression (MLR)
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