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上海药物研究所 [19]
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Structural optimization and biological evaluation for novel artemisinin derivatives against liver and ovarian cancers
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 211, 页码: 13
作者:
Zhou, Yu
;
Li, Xiaoguang
;
Chen, Kerong
;
Ba, Qian
;
Zhang, Xu
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2021/06/11
Structural optimization
Lead compound
Artemisinin derivatives
Cancer
Structural optimization and biological evaluation for novel artemisinin derivatives against liver and ovarian cancers
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 211, 页码: 13
作者:
Zhou, Yu
;
Li, Xiaoguang
;
Chen, Kerong
;
Ba, Qian
;
Zhang, Xu
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  |  
浏览/下载:40/0
  |  
提交时间:2021/05/24
Structural optimization
Lead compound
Artemisinin derivatives
Cancer
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
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  |  
浏览/下载:65/0
  |  
提交时间:2019/07/29
Pharmacophore modeling
Molecular docking
Quantitative structure activity relationship (QSAR)
Molecular dynamics
AMPK
Activator
Discovery of novel indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors by virtual screening
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 78, 页码: 306-316
作者:
Zhou, Yeheng
;
Peng, Jiale
;
Li, Penghua
;
Du, Haibo
;
Li, Yaping
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  |  
浏览/下载:57/0
  |  
提交时间:2019/03/25
IDO1
Molecular docking
HipHop pharmacophore
3D-QSAR
PAINS
Pharmacophore-based drug design for the identification of novel butyrylcholinesterase inhibitors against Alzheimer's disease
期刊论文
PHYTOMEDICINE, 2019, 卷号: 54, 期号: 2, 页码: 278-290
作者:
Jiang, YY (Jiang, Yingying)[ 2 ]
;
Gao, HW (Gao, Hongwei)[ 1,2 ]
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  |  
浏览/下载:46/0
  |  
提交时间:2019/03/19
Alzheimer's disease (AD)
Butyrylcholinesterase (BChE)
Flavonoids
Pharmacophore models
Molecular docking
De novo evolution
Structure‐based pharmacophore models to probe anticancer activity of inhibitors of protein kinase B‐beta (PKB β).
期刊论文
Chemical Biology & Drug Design, 2019, 卷号: Vol.93 No.3, 页码: 325-336
作者:
Akhtar, N.a
;
Jabeen, I.a
;
Jalal, N.b
;
Antilla, J.b
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  |  
浏览/下载:16/0
  |  
提交时间:2019/11/21
Akt
ligand–protein interactions
phosphoinositide 3‐kinase
quinoline‐type inhibitors
structure‐based pharmacophore modeling
virtual screening
Evaluation of the combination mode and features of p38 MAPK inhibitors: construction of different pharmacophore models and molecular docking
期刊论文
MOLECULAR SIMULATION, 2019, 卷号: 45, 期号: 12, 页码: 975-984
作者:
Sun, Bin
;
Zhang, Hong
;
Dong, Yue
;
Zhao, Liyu
;
Han, Jun
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  |  
浏览/下载:13/0
  |  
提交时间:2019/12/11
p38 MAPK inhibitors
targeting kinase
pharmacophore model
molecular
docking
Designing modified polybrominated diphenyl ether BDE-47, BDE-99, BDE-100, BDE-183, and BDE-209 molecules with decreased estrogenic activities using 3D-QSAR, pharmacophore models coupled with resolution V of the 2 fractional factorial design and molecular docking
期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2019, 卷号: Vol.364, 页码: 151-162
作者:
Chu, Zhenhua
;
Li, Yu
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  |  
浏览/下载:4/0
  |  
提交时间:2019/12/17
Polybrominated
diphenyl
ethers
Estrogenic
activity
Molecular
modification
3D-QSAR
Molecular
docking
Pharmacophore-based drug design for potential AChE inhibitors from Traditional Chinese Medicine Database
期刊论文
BIOORGANIC CHEMISTRY, 2018, 卷号: 76, 期号: 2, 页码: 400-414
作者:
Jiang, YY (Jiang, Yingying)
;
Gao, HW (Gao, Hongwei)
;
Gao, HW
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  |  
浏览/下载:32/0
  |  
提交时间:2018/03/14
Ad
Ache
Flavonoids
Tcm
Pharmacophore Models
Docking
Predicting tyrosinase inhibition by 3D QSAR pharmacophore models and designing potential tyrosinase inhibitors from Traditional Chinese medicine database
期刊论文
PHYTOMEDICINE, 2018, 卷号: 38, 期号: 1, 页码: 145-157
作者:
Gao, HW (Gao, Hongwei)
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  |  
浏览/下载:29/0
  |  
提交时间:2018/03/05
Tyrosinase
Inhibitors
Tcm
Pharmacophore Models
Docking
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