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浏览/检索结果:
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Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis
期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021, 页码: 6
作者:
Yang, Xiangbo
;
Lu, Huimin
;
Xie, Hang
;
Zhang, Binbin
;
Nie, Tianqing
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2022/01/18
Binding studies
Drug discovery
Necroptosis
RIPK1 inhibitors
Sepsis
Structure-Based Virtual Screening and Identification of Potential Inhibitors of SARS-CoV-2 S-RBD and ACE2 Interaction
期刊论文
FRONTIERS IN CHEMISTRY, 2021, 卷号: 9, 页码: 12
作者:
Xiong, Jiacheng
;
Xiang, Yusen
;
Huang, Ziming
;
Liu, Xiaohong
;
Wang, Mengge
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2021/12/01
SARS-CoV-2
angiotensin-converting enzyme 2 (ACE2)
spike protein receptor-binding domain (S-RBD)
structure-based virtual screening
protein-protein interaction (PPI) inhibitors
What coronavirus 3C-like protease tells us: From structure, substrate selectivity, to inhibitor design
期刊论文
MEDICINAL RESEARCH REVIEWS, 2021, 页码: 34
作者:
Xiong, Muya
;
Su, Haixia
;
Zhao, Wenfeng
;
Xie, Hang
;
Shao, Qiang
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  |  
浏览/下载:45/0
  |  
提交时间:2021/05/24
3C-like protease
binding modes
coronavirus
inhibitors
structure and function
Characterization of covalent binding of tyrosine kinase inhibitors to plasma proteins
期刊论文
DRUG METABOLISM AND PHARMACOKINETICS, 2020, 卷号: 35, 期号: 5, 页码: 456-465
作者:
Liu, Xiaoyun
;
Feng, Dan
;
Zheng, Mingyue
;
Cui, Yongmei
;
Zhong, Dafang
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  |  
浏览/下载:14/0
  |  
提交时间:2020/12/21
Covalent tyrosine kinase inhibitors
Covalent binding
Human serum albumin
Molecular docking
Quantitative calculations
Linear modeling
Species difference
Virtual Screening for Type ⅡB Inhibitors of B-RafV600E Kinase.
期刊论文
Current computer-aided drug design, 2019
作者:
Qiu Kai-Xiong
;
Zhang Wen
;
Yu Fang
;
Li Wei
;
Sun Zhong-Wen
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  |  
浏览/下载:31/0
  |  
提交时间:2019/12/04
B-RafV600E Kinase
Type ⅡB Inhibitors
Virtual Screening
Pharmacophore Modelling
Molecular Docking
3D-QSAR
Binding Free Energy Calculation
Discovery of novel anti-angiogenesis agents. Part 10: Multi-target inhibitors of VEGFR-2, Tie-2 and EphB4 incorporated with 1,2,3-triazol.
期刊论文
European journal of medicinal chemistry, 2019, 卷号: 163, 页码: 1-9
作者:
Pan Xiaoyan
;
Liang Liyuan
;
Si Ru
;
Wang Jin
;
Zhang Qingqing
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/11/19
Anti-angiogenic agents
Triple RTK inhibitors
1,2,3-Triazole
DFG-binding group
Multi-target
Effects of histone deacetylase inhibitors on ATP-binding cassette transporters in lung cancer A549 and colorectal cancer HCT116 cells
期刊论文
ONCOLOGY LETTERS, 2019, 卷号: 18, 期号: 1, 页码: 63-71
作者:
Wang, Hao
;
Chi, Chun-Hua
;
Zhang, Ying
;
Shi, Bin
;
Jia, Ru
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2019/12/11
histone deacetylase inhibitors
ATP-binding cassette transporter
ABCB1
ABCCs
ABCG2
multidrug resistance
Identification of novel and potent small-molecule inhibitors of tubulin with antitumor activities by virtual screening and biological evaluations
期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2019, 卷号: 33, 期号: 7, 页码: 659-664
作者:
Liu, Guangpu
;
Jiao, Yang
;
Huang, Chunxi
;
Chang, Ping
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/11
Microtubules inhibitors
Anticancer target
Colchicine binding site
Drug discovery
Molecular docking
Resistance mechanism of the oncogenic beta 3-alpha C deletion mutation in BRAF kinase to dabrafenib and vemurafenib revealed by molecular dynamics simulations and binding free energy calculations
期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2019, 卷号: 93, 期号: 2, 页码: 177-187
作者:
Niu, Yuzhen
;
Zhang, Yan
;
Yao, Xiaojun
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/11
binding free energy calculation
BRAF inhibitors
drug resistance
molecular dynamics simulation
residue interaction network analysis
Cell-addictive dual-target traceable nanodrug for Parkinson's disease treatment via flotillins pathway
期刊论文
THERANOSTICS, 2018, 卷号: 8, 期号: 19, 页码: 5469
作者:
Li, YH
;
Chen, ZX
;
Lu, ZG
;
Yang, QH
;
Liu, LY
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  |  
浏览/下载:46/0
  |  
提交时间:2018/12/29
Parkinson's Disease
Blood-brain-barrier
Dopaminergic Neurons
Cocaine Binding-site
Egcg
Alpha-synuclein
Nanoparticles
Dopamine Transporter
Alpha-synclein Aggregation
Laminin Receptor
Tea Polyphenol
Potential Inhibitors
Alzheimers-disease
Mazindol Analogs
Delivery
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