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]
采集方式
OAI收割 [10]
内容类型
期刊论文 [10]
发表日期
2023 [1]
2022 [1]
2018 [4]
2016 [3]
2014 [1]
学科主题
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专题:上海药物研究所
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Natural product P57 induces hypothermia through targeting pyridoxal kinase
期刊论文
OAI收割
NATURE COMMUNICATIONS, 2023, 卷号: 14, 期号: 1, 页码: 15
作者:
Wang, Ruina
;
Xiao, Lei
;
Pan, Jianbo
;
Bao, Guangsen
;
Zhu, Yunmei
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2024/02/19
An optimization algorithm for conformer generation based on the bond contribution ranking
期刊论文
OAI收割
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022, 卷号: 100, 页码: 107751
作者:
Zhang, Ziheng
;
Zhang, Kai
;
Liu, Zhihui
;
Zhao, Jialei
;
Wang, Jing
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2024/03/21
Conformer generation
Bond contribution rank
Systematic sampling
Torsion angle
Synthesis and biological evaluation of a series of novel pyridinecarboxamides as potential multi-receptor antipsychotic drugs
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2018, 卷号: 28, 期号: 4, 页码: 606-611
作者:
Xu, Mingshuo
;
Wang, Yu
;
Yang, Feipu
;
Wu, Chunhui
;
Wang, Zhen
  |  
收藏
  |  
浏览/下载:50/0
  |  
提交时间:2019/01/08
Antipsychotic
Multi-receptor
Pyridinecarboxamide
5-HT1A receptor
PCP-induced hyperlocomotion
Synthesis and biological evaluation of a series of multi-target N-substituted cyclic imide derivatives with potential antipsychotic effect
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2018, 卷号: 145, 页码: 74-85
作者:
Xu, Mingshuo
;
Wang, Yu
;
Yang, Feipu
;
Wu, Chunhui
;
Wang, Zhen
  |  
收藏
  |  
浏览/下载:51/0
  |  
提交时间:2019/01/08
Antipsychotic
Cyclic imide
Multi-target
5-HT1A receptor
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
OAI收割
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:24/0
  |  
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
developmentofahighthroughputfluorescencepolarizationassayforthediscoveryofezh2eedinteractioninhibitors
期刊论文
OAI收割
actapharmacologicasinica, 2018, 卷号: 39, 期号: 2, 页码: 302
作者:
Zhu Maorong
;
Du Daohai
;
Hu Junchi
;
Li Lianchun
;
Liu Jingqiu
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2020/07/01
PRC2
EZH2
EED
protein-protein interaction
fluorescence polarization
high-throughput screening
apomorphine hydrochloride
oxyphenbutazone
nifedipine
ergonovine maleate
Identification of novel EZH2 inhibitors through pharmacophore-based virtual screening and biological assays
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2016, 卷号: 26, 期号: 15, 页码: 3813-3817
作者:
Wu, Yunlong
;
Hu, Junchi
;
Ding, Hong
;
Chen, Limin
;
Zhang, Yuanyuan
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2019/01/08
EZH2
Epigenetics
PRC2
Computational drug design
Pharmacophore-based virtual screening
Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays
期刊论文
OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2016, 卷号: 56, 期号: 3, 页码: 527-534
作者:
Chen, Shijie
;
Li, Linjuan
;
Chen, Yantao
;
Hu, Junchi
;
Liu, Jingqiu
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/01/08
e-Science Platform Construction Accelerates the Development of Rational Drug Design
期刊论文
OAI收割
Bulletin of the Chinese Academy of Sciences, 2016, 卷号: 31, 期号: 6, 页码: 624-638
作者:
Hu Junchi
;
Xu Pan
;
Chen Yantao
;
Liu Tingting
;
Lu Dong
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2019/01/08
e-Science
rational drug design
computer-aided drug design
Identifying Novel Selective Non-Nucleoside DNA Methyltransferase 1 Inhibitors through Docking-Based Virtual Screening
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2014, 卷号: 57, 期号: 21, 页码: 9028-9041
作者:
Chen, Shijie
;
Wang, Yulan
;
Zhou, Wen
;
Li, Shanshan
;
Peng, Jianlong
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/01/08