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上海药物研究所 [11]
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期刊论文 [42]
发表日期
2018 [42]
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发表日期:2018
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Identification of 5-benzylidene-2-phenylthiazolones as potent PRMT5 inhibitors by virtual screening, structural optimization and biological evaluations
期刊论文
BIOORGANIC CHEMISTRY, 2018, 卷号: 81, 页码: 289-298
作者:
Zhu, Kongkai
;
Tao, Hongrui
;
Song, Jia-Li
;
Jin, Lu
;
Zhang, Yuanyuan
收藏
  |  
浏览/下载:129/0
  |  
提交时间:2019/01/08
PRMT5 inhibitor
Arginine methylation
Virtual screening
Molecular docking
Molecular dynamics simulation
Discovery and biological evaluation of thiobarbituric derivatives as potent p300/CBP inhibitors
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY, 2018, 卷号: 26, 期号: 20, 页码: 5397-5407
作者:
Lu, Wenchao
;
Xiong, Huan
;
Chen, Yu
;
Wang, Chen
;
Zhang, Hao
收藏
  |  
浏览/下载:139/0
  |  
提交时间:2019/01/08
Drug discovery
Epigenetics
Histone acetyltransferase
P300/CBP
Natural Breviscapin, Mangiferin, and a Modified Mangostin Present Inhibitory Effect on Dipeptidyl Peptidase-IV
期刊论文
CHEMISTRYSELECT, 2018, 卷号: 3, 期号: 39, 页码: 10864-10868
作者:
Hou, Bo
;
Kuang, Meng-Ting
;
Chi, Xiao-Qian
;
Li, Jin-Yu
;
Yang, Liu
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2018/12/03
DPP-IV inhibitors
Scutellaria baicalensis
Mango
Natural products
Virtual Screening
Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2018, 卷号: 76, 页码: 53-60
作者:
Li, Yaping
;
Peng, Jiale
;
Zhou, Yeheng
;
Li, Penghua
;
Li, Yingying
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  |  
浏览/下载:29/0
  |  
提交时间:2018/11/12
Checkpoint kinase 1 inhibitor
Virtual screening
Pharmacophore modeling
Molecular docking
Molecular dynamics simulations
Artificial intelligence in drug design
期刊论文
SCIENCE CHINA-LIFE SCIENCES, 2018, 卷号: 61, 期号: 10, 页码: 1191-1204
作者:
Zhong, Feisheng
;
Xing, Jing
;
Li, Xutong
;
Liu, Xiaohong
;
Fu, Zunyun
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  |  
浏览/下载:28/0
  |  
提交时间:2019/01/08
drug design
artificial intelligence
deep learning
QSAR
ADME/T
Discovery of novel wee1 inhibitors via structure-based virtual screening and biological evaluation
期刊论文
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:50/0
  |  
提交时间:2018/11/06
Wee1 inhibitors
Pharmacophore model
Molecular docking
Virtual screening
Molecular dynamics simulation
Identification of a novel selective small-molecule inhibitor of protein arginine methyltransferase 5 (PRMT5) by virtual screening, resynthesis and biological evaluations
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2018, 卷号: 28, 期号: 9, 页码: 1476-1483
作者:
Zhu, Kongkai
;
Jiang, Chengshi
;
Tao, Hongrui
;
Liu, Jingqiu
;
Zhang, Hua
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  |  
浏览/下载:59/0
  |  
提交时间:2019/01/08
PRMT5 inhibitor
Resynthesis
Virtual screening
Molecular docking
Molecular dynamics simulation
Identification of Selective, Cell Active Inhibitors of Protein Arginine Methyltransferase 5 through Structure-Based Virtual Screening and Biological Assays
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2018, 卷号: 58, 期号: 5, 页码: 1066-1073
作者:
Ye, Fei
;
Zhang, Weiyao
;
Ye, Xiaoqing
;
Jin, Jia
;
Lv, Zhengbing
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/01/08
Computational chemical biology and drug design: Facilitating protein structure, function, and modulation studies
期刊论文
MEDICINAL RESEARCH REVIEWS, 2018, 卷号: 38, 期号: 3, 页码: 914-950
作者:
Zheng, Mingyue
;
Zhao, Jihui
;
Cui, Chen
;
Fu, Zunyun
;
Li, Xutong
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2019/01/08
ADMET
chemical biology
drug design
in silico
lead optimization
molecular dynamics
polypharmacology
virtual screening
Discovery of Novel Inhibitors of Indoleamine 2,3-Dioxygenase 1 Through Structure-Based Virtual Screening
期刊论文
FRONTIERS IN PHARMACOLOGY, 2018, 卷号: 9
作者:
Zhang, Guoqing
;
Xing, Jing
;
Wang, Yulan
;
Wang, Lihao
;
Ye, Yan
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2019/01/08
indoleamine 2, 3-dioxygense
IDO1 inhibitor
virtual screening
molecular docking
hit expansion
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