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 [6]
化学研究所 [1]
昆明植物研究所 [1]
高能物理研究所 [1]
长春应用化学研究所 [1]
西安光学精密机械研究... [1]
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OAI收割 [11]
内容类型
期刊论文 [11]
发表日期
2024 [2]
2023 [1]
2022 [1]
2018 [1]
2017 [1]
2016 [1]
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学科主题
Biochemist... [1]
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A novel approach to exploit Small-Molecule glucagon-like Peptide-1 receptor agonists with high potency
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY, 2024, 卷号: 107, 页码: 19
作者:
Wang, Xiaoyan
;
Yun, Ying
;
Chen, Lili
;
Guo, Shimeng
;
Niu, Buying
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2024/07/12
Diabetes
GLP-1 receptor
Agonist
Structural optimization
Water molecule replacement
Structure activity relationship
Docking simulation
Studying the Effects and Competitive Mechanisms of YOYO-1 on the Binding Characteristics of DOX and DNA Molecules Based on Surface-Enhanced Raman Spectroscopy and Molecular Docking Techniques
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2024, 卷号: 25, 期号: 7
作者:
Li, Yanjie
;
Li, Zhiwei
;
Yun, Penglun
;
Sun, Dan
;
Niu, Yong
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2024/07/18
SERS
molecular docking method
drug molecule
binding site
competitive mechanism
Isolation and Identification of Herbicidal Active Compounds from Brassica oleracea L. and Exploration of the Binding Sites of Brassicanate A Sulfoxide
期刊论文
OAI收割
PLANTS-BASEL, 2023, 卷号: 12, 期号: 13, 页码: 2576
作者:
Wang,Yu
;
Liu,Wanyou
;
Dong,Baozhu
;
Wang,Dong
;
Nian,Yin
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2024/05/09
Brassica oleracea L
activity guided
allelochemicals
herbicidal activity
molecule docking
AUXIN BIOSYNTHESIS
PHYTOALEXINS
GERMINATION
MUSTARD
GROWTH
Identification of PRMT5 inhibitors with novel scaffold structures through virtual screening and biological evaluations
期刊论文
OAI收割
JOURNAL OF MOLECULAR MODELING, 2022, 卷号: 28, 期号: 7, 页码: 184
作者:
Zhang, Qian
;
Zhang, Lun
;
Jin, Jia
;
Fan, Yaohua
;
Wang, Xiaoguang
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2024/03/21
PRMT5
Small-molecule inhibitors
Virtual screening
Molecular docking
Molecular dynamics simulations
Molecular modelling studies on cinnoline-based BTK inhibitors using docking and structure-based 3D-QSAR
期刊论文
OAI收割
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2018, 卷号: 29, 期号: 11, 页码: 847-873
作者:
Li, R.
;
Du, Y.
;
Shen, J.
  |  
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2019/01/08
BTK inhibitors
B-cell malignancies
molecule docking
3D-QSAR
CoMFA
CoMSIA
Discovery of alkyl bis(oxy)dibenzimidamide derivatives as novel protein arginine methyltransferase 1 (PRMT1) inhibitors
期刊论文
OAI收割
CHEMICAL BIOLOGY & DRUG DESIGN, 2017, 卷号: 90, 期号: 6, 页码: 1260-1270
作者:
Zhang, Wei-yao
;
Lu, Wen-chao
;
Jiang, Hao
;
Lv, Zheng-bing
;
Xie, Yi-qian
  |  
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2019/01/08
epigenetics
molecular docking
PRMT1
scaffold hopping
small-molecule inhibitor
Molecular docking for drug discovery and development: a widely used approach but far from perfect
期刊论文
OAI收割
FUTURE MEDICINAL CHEMISTRY, 2016, 卷号: 8, 期号: 14
作者:
Wang, Guimin
;
Zhu, Weiliang
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2019/01/08
covalent binding
free energy
molecular docking
scoring function
solvent molecule
structural flexibility
thermodynamics and kinetics
policresulenanovelns2bns3proteaseinhibitoreffectivelyinhibitsthereplicationofdenv2virusinbhk21cells
期刊论文
OAI收割
actapharmacologicasinica, 2015, 卷号: 36, 期号: 9, 页码: 1126
作者:
Wu Dengwei
;
Mao Fei
;
Ye Yan
;
Li Jian
;
Xu Chuanlian
  |  
收藏
  |  
浏览/下载:58/0
  |  
提交时间:2020/07/01
SMALL-MOLECULE INHIBITORS
STRUCTURE-BASED DISCOVERY
DRUG-LIKE MOLECULES
DENGUE VIRUS
SERINE-PROTEASE
NS3 PROTEASE
PEPTIDE INHIBITORS
NS2B-NS3 PROTEASE
ACCURATE DOCKING
IN-VITRO
Dengue virus
antiviral drug
NS2B/NS3 protease
policresulen
molecular docking
molecular modeling
Live-cell single-molecule imaging reveals clathrin and caveolin-1 dependent docking of SMAD4 at the cell membrane
期刊论文
OAI收割
FEBS LETTERS, 2013, 卷号: 587, 期号: 24, 页码: 3912-3920
作者:
Yang, Yong
;
Wolfram, Joy
;
Shen, Jianliang
;
Zhao, Yuliang
;
Fang, Xiaohong
  |  
收藏
  |  
浏览/下载:97/0
  |  
提交时间:2019/04/09
Smad4
Membrane Docking
Single-molecule Fluorescence Imaging
Clathrin
Caveolin-1
Rational Drug Design: The Search for Ras Protein Hydrolysis Intermediate Conformation Inhibitors with Both Affinity and Specificity
期刊论文
OAI收割
current pharmaceutical design, 2013, 卷号: 19, 期号: 12, 页码: 2246-2258
Zheng XL
;
Liu ZJ
;
Li D
;
Wang EK
;
Wang J
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2014/04/20
EMPIRICAL SCORING FUNCTIONS
SMALL-MOLECULE INHIBITOR
SELF-ORGANIZING MAP
MARKETED ORAL-DRUGS
LIGAND INTERACTIONS
FLEXIBLE DOCKING
AUTOMATED DOCKING
BINDING-AFFINITY
GENETIC ALGORITHM
COMPOUND COLLECTIONS