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科研机构
上海药物研究所 [10]
内容类型
期刊论文 [10]
发表日期
2018 [10]
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发表日期:2018
专题:上海药物研究所
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Discovery of new potent protein arginine methyltransferase 5 (PRMT5) inhibitors by assembly of key pharmacophores from known inhibitors
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2018, 卷号: 28, 期号: 23-24, 页码: 3693-3699
作者:
Zhu, Kongkai
;
Song, Jia-Li
;
Tao, Hong-Rui
;
Cheng, Zhi-Qiang
;
Jiang, Cheng-Shi
收藏
  |  
浏览/下载:100/0
  |  
提交时间:2019/01/08
Pharmacophore combination
Isoquinoline
PRMT5 inhibitor
Molecular docking
Molecular dynamics simulation
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
Recent Trends and Applications of Molecular Modeling in GPCR-Ligand Recognition and Structure-Based Drug Design
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 7
作者:
Yuan, Xiaojing
;
Xu, Yechun
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/01/08
GPCR
receptor-ligand recognition
drug design
molecular modeling
molecular dynamics
docking
binding affinity
binding pathway
Synthesis and Cell Division Cycle 25B Phosphatase/Protein Tyrosine Phosphatase 1B Inhibitory Activity Evaluation of Novel Acylthiourea Derivatives
期刊论文
CHINESE JOURNAL OF ORGANIC CHEMISTRY, 2018, 卷号: 38, 期号: 5, 页码: 1242-1250
作者:
Li Yingjun
;
Wang Siyuan
;
Jin Kun
;
Gao Lixin
;
Sheng Li
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/01/08
acylthiourea
carbazole
synthesis
Cdc25B and PTP1B inhibitors
molecular docking
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
收藏
  |  
浏览/下载:59/0
  |  
提交时间:2019/01/08
PRMT5 inhibitor
Resynthesis
Virtual screening
Molecular docking
Molecular dynamics simulation
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
H6, a novel hederagenin derivative, reverses multidrug resistance in vitro and in vivo
期刊论文
TOXICOLOGY AND APPLIED PHARMACOLOGY, 2018, 卷号: 341, 页码: 98-105
作者:
Yang, Yanting
;
Guan, Daokun
;
Lei, Lei
;
Lu, Jing
;
Liu, Jia Qi
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2019/01/08
alpha-Hederagenin
H6
Multidrug resistance
P-glycoprotein
Molecular docking
Interaction assessments of the first S-adenosylmethionine competitive inhibitor and the essential interacting partner methylosome protein 50 with protein arginine methyltransferase 5 by combined computational methods
期刊论文
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2018, 卷号: 495, 期号: 1, 页码: 721-727
作者:
Zhu, Kongkai
;
Jiang, Cheng-Shi
;
Hu, Junchi
;
Liu, Xigong
;
Yan, Xue
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/01/08
PRMT5 SAM competitive inhibitor
Molecular docking
Molecular dynamics simulation
Molecular mechanics/Poisson-Boltzmann surface area
PRMT5:MEP50 interaction
Parallelization of Molecular Docking: A Review
期刊论文
CURRENT TOPICS IN MEDICINAL CHEMISTRY, 2018, 卷号: 18, 期号: 12, 页码: 1015-1028
作者:
Dong, Dong
;
Xu, Zhijian
;
Wu, Zhong
;
Peng, Shaoliang
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/01/08
Molecular docking
virtual screening
high-performance computing
artificialintelligenceindrugdesign
期刊论文
sciencechinalifesciences, 2018, 卷号: 61, 期号: 10, 页码: 1191
作者:
Zhong Feisheng
;
Xing Jing
;
Li Xutong
;
Liu Xiaohong
;
Fu Zunyun
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2020/07/01
PROTEIN-PROTEIN-INTERACTION
MACHINE LEARNING-METHODS
COMPUTATIONAL METHODS
MOLECULAR-PROPERTIES
INTERACTION NETWORKS
NEURAL-NETWORKS
PREDICTION
DOCKING
DISCOVERY
PERMEABILITY
drug design
artificial intelligence
deep learning
QSAR
ADME/T
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