中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
上海药物研究所 [10]
过程工程研究所 [6]
昆明植物研究所 [2]
计算机网络信息中心 [1]
昆明动物研究所 [1]
采集方式
OAI收割 [19]
iSwitch采集 [1]
内容类型
期刊论文 [20]
发表日期
2019 [1]
2018 [2]
2016 [1]
2013 [1]
2012 [1]
2011 [3]
更多
学科主题
Chemistry [2]
Pharmacolo... [2]
Chemistry,... [1]
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浏览/检索结果:
共20条,第1-10条
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Discovery of new multifunctional selective acetylcholinesterase inhibitors: structure-based virtual screening and biological evaluation
期刊论文
OAI收割
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2019, 卷号: 33, 期号: 5, 页码: 521-530
作者:
Jiang, Cheng-Shi
;
Ge, Yong-Xi
;
Cheng, Zhi-Qiang
;
Song, Jia-Li
;
Wang, Yin-Yin
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2020/07/01
AChE inhibitor
Pharmacophore model
Molecular docking
Anti-A aggregation
Neuroprotective activity
Discovery of novel wee1 inhibitors via structure-based virtual screening and biological evaluation
期刊论文
OAI收割
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2018, 卷号: 32, 期号: 9, 页码: 901-915
作者:
Li, Yaping
;
Pu, Yinglan
;
Liu, Hui
;
Zhang, Li
;
Liu, Xingyong
  |  
收藏
  |  
浏览/下载:63/0
  |  
提交时间:2018/11/06
Wee1 inhibitors
Pharmacophore model
Molecular docking
Virtual screening
Molecular dynamics simulation
Ligand-based pharmacophore model for the discovery of novel CXCR2 antagonists as anti-cancer metastatic agents
期刊论文
OAI收割
ROYAL SOCIETY OPEN SCIENCE, 2018, 卷号: 5, 期号: 7
作者:
Che, Jinxin
;
Wang, Zhilong
;
Sheng, Haichao
;
Huang, Feng
;
Dong, Xiaowu
  |  
收藏
  |  
浏览/下载:54/0
  |  
提交时间:2019/01/08
pharmacophore model
CXCR2
antagonists
anti-cancer metastasis
Pharmacophore-Map-Pick: A Method to Generate Pharmacophore Models for All Human GPCRs
期刊论文
OAI收割
MOLECULAR INFORMATICS, 2016, 卷号: 35, 期号: 2, 页码: 81-91
作者:
Dai SX
;
Li GH
;
Gao YD
;
Huang JF[*]
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2016/07/21
GPCR
Pharmacophore model
Drug discovery
Design, Synthesis, and Evaluation of Indolebutylamines as a Novel Class of Selective Dopamine D3 Receptor Ligands
期刊论文
OAI收割
CHEMICAL BIOLOGY & DRUG DESIGN, 2013, 卷号: 82, 期号: 3, 页码: 326-335
作者:
Du, Peng
;
Xu, Lili
;
Huang, Jiye
;
Yu, Kunqian
;
Zhao, Rui
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2019/01/08
dopamine 3 receptor
indolebutylamine
pharmacophore model
selectivity
structure-activity relationship
Design,synthesis and bioactivity of aryl piperazine benzo[b]oxazine derivatives
期刊论文
OAI收割
Acta Pharmaceutica Sinica, 2012, 卷号: 47, 期号: 6, 页码: 755-763
作者:
Zheng Yongyong
;
Xie Peng
;
Zhang Jin
;
Li Jianqi
;
Guo Lin
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/01/08
5-HT_(1A)
aryl piperazine benzo [b] oxazine derivatives
pharmacophore model
5-HT reuptake
5-HT_(1A)
Discovery of a Novel Dopamine D-3 Receptor Inhibitor
期刊论文
OAI收割
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2011, 卷号: 32, 期号: 8, 页码: 1779-1784
作者:
Deng Xin-Xian
;
Shen Qing
;
Xu Li-Li
;
Xiong Zi-Jun
;
Zhao Wei-Li
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2019/01/08
Dopamine D-3 receptor
Pharmacophore model
Database screening
Inhibitor
Discovery of a Novel 5-HT2A Inhibitor by Pharmacophore-based Virtual Screening
期刊论文
OAI收割
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES, 2011, 卷号: 27, 期号: 4, 页码: 655-660
作者:
Xiong Zi-jun
;
Du Peng
;
Li Bian
;
Xu Li-li
;
Zhen Xue-chu
  |  
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2019/01/08
Pharmacophore model
Serotonin 2A receptor
Database search
Virtual screening
Molecular docking
Molecular docking-based 3D-QSAR studies of pyrrolo[3,4-c]pyrazole derivatives as Aurora-A inhibitors
期刊论文
OAI收割
MOLECULAR SIMULATION, 2011, 卷号: 37, 期号: 1, 页码: 31-42
He, G.
;
Qiu, M. H.
;
Li, R.
;
Song, X. R.
;
Zheng, X.
;
Shi, J. Y.
;
Xu, G. B.
;
Han, J.
;
Yu, L. T.
;
Yang, S. Y.
;
Chen, L. J.
;
Wei, Y. Q.
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2012/10/12
pyrrolo[3
4-c]pyrazole derivatives
3D-QSAR
molecular docking
CoMFA
CoMSIA
KINASE INHIBITORS
PROTEIN-KINASE
PHARMACOPHORE MODEL
SIMILARITY INDEXES
ANALYSIS COMSIA
POTENT
IDENTIFICATION
BINDING
PROFILE
COMFA
Flavonoids with aldose reductase inhibiting activity: Pharmacophore modeling and implications for mechanism
期刊论文
OAI收割
ACTA PHYSICO-CHIMICA SINICA, 2007, 卷号: 23, 期号: 7, 页码: 1059-1064
作者:
Liu Hai-Bo
;
Wang Zhan-Li
;
Qiao Ying-Xin
;
Zhou Jia-Ju
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2013/10/15
aldose reductase inhibitor
flavonoids
pharmacophore model