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上海药物研究所 [36]
大连化学物理研究所 [2]
昆明植物研究所 [2]
江苏大学 [1]
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期刊论文 [40]
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浏览/检索结果:
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Identification of methyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morpholinopyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-yl)carbamate (CYH33) as an orally bioavailable, highly potent, PI3K alpha inhibitor for the treatment of advanced solid tumors
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 209, 页码: 10
作者:
Xiang, Hao-Yue
;
Wang, Xiang
;
Chen, Yan-Hong
;
Zhang, Xi
;
Tan, Cun
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2021/05/24
PI3K
Pyrrolo[2,1-f][1,2,4]triazine
Anti-cancer
Target therapy
Discovery of Novel IDH1 Inhibitor Through Comparative Structure-Based Virtual Screening
期刊论文
FRONTIERS IN PHARMACOLOGY, 2020, 卷号: 11, 页码: 11
作者:
Wang, Yuwei
;
Tang, Shuai
;
Lai, Huanling
;
Jin, Ruyi
;
Long, Xu
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  |  
浏览/下载:49/0
  |  
提交时间:2020/12/24
IDH1
gliomas
molecular docking
virtual screening
docking-based virtual screening
Design, Synthesis, and Biological Activities of Novel Triazolothiadiazole Derivatives Linked with Amino Side Chain Containing Urea Group as DOT1L Inhibitors
期刊论文
CHINESE JOURNAL OF ORGANIC CHEMISTRY, 2020, 卷号: 40, 期号: 8, 页码: 2450-2459
作者:
Liu Na
;
Guo Siqi
;
Liu Junfang
;
Chen Yantao
;
Xu Xiaoming
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2020/12/24
DOT1L inhibitor
triazolothiadiazole
triazolothiadiazine
nucleophilic substitution
Structural Modifications of the Triazolo-thiadiazole Derivatives as DOT1L Inhibitors and Their Activities
期刊论文
CHINESE JOURNAL OF ORGANIC CHEMISTRY, 2020, 卷号: 40, 期号: 5, 页码: 1345-1354
作者:
Xu Xiaoming
;
Guo Siqi
;
Zhang Jing
;
Chen Yantao
;
Kang Yaqing
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  |  
浏览/下载:18/0
  |  
提交时间:2020/12/24
DOT1L inhibitor
ttriazolo-thiadiazole
structural modification
hydrophobic substituent
structure-activity analysis
Diterpenoids from the Root Bark of Pinus massoniana and Evaluation of Their Phosphodiesterase Type 4D Inhibitory Activity
期刊论文
JOURNAL OF NATURAL PRODUCTS, 2020, 卷号: 83, 期号: 4, 页码: 1229-1237
作者:
Fu, Yifan
;
Ding, Xiaoyu
;
Zhang, Xianglei
;
Shao, Xingcheng
;
Zhao, Jihui
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  |  
浏览/下载:39/0
  |  
提交时间:2020/12/24
Discovery of novel glyceraldehyde-3-phosphate dehydrogenase inhibitor via docking-based virtual screening
期刊论文
BIOORGANIC CHEMISTRY, 2020, 卷号: 96, 页码: 10
作者:
Li, Ting
;
Tan, Xiaoqin
;
Yang, Ruirui
;
Miao, Ying
;
Zhang, Min
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  |  
浏览/下载:23/0
  |  
提交时间:2020/07/01
Glyceraldehyde-3-phosphate dehydrogenase
Inhibitor
Virtual screening
Glycolysis
Cancer
Discovery and Biological Evaluation of New Selective Acetylcholinesterase Inhibitors with Anti-A beta Aggregation Activity through Molecular Docking-Based Virtual Screening
期刊论文
CHEMICAL & PHARMACEUTICAL BULLETIN, 2020, 卷号: 68, 期号: 2, 页码: 161-166
作者:
Liu, Guangpu
;
Jiao, Yang
;
Lin, Yongqiang
;
Hao, Haifang
;
Dou, Yanli
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  |  
浏览/下载:55/0
  |  
提交时间:2020/07/01
selective acetylcholinesterase inhibitor
amyloid beta aggregation
neuroprotectant
molecular docking
molecular dynamics simulation
Identification and Assessments of Novel and Potent Small-Molecule Inhibitors of EED-EZH2 Interaction of Polycomb Repressive Complex 2 by Computational Methods and Biological Evaluations
期刊论文
CHEMICAL & PHARMACEUTICAL BULLETIN, 2020, 卷号: 68, 期号: 1, 页码: 58-63
作者:
Zhu, Kongkai
;
Du, Daohai
;
Yang, Rui
;
Tao, Hongrui
;
Zhang, Hua
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2020/07/01
polycomb repressive complex 2
EZH2-EED interaction inhibitor
virtual screening
molecular dynamics simulation
Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 1, 页码: 226-234
作者:
Kamsri, Pharit
;
Hanwarinroj, Chayanin
;
Phusi, Naruedon
;
Pornprom, Thimpika
;
Chayajarus, Kampanart
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/07/01
Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods
期刊论文
FRONTIERS IN PHARMACOLOGY, 2019, 卷号: 10, 页码: 11
作者:
Wang, Dingyan
;
Cui, Chen
;
Ding, Xiaoyu
;
Xiong, Zhaoping
;
Zheng, Mingyue
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2020/07/01
virtual screening
target-specific scoring function
deep learning
drug discovery
DUD-E
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