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Rational Design by Structural Biology of Industrializable, Long-Acting Antihyperglycemic GLP-1 Receptor Agonists
期刊论文
PHARMACEUTICALS, 2022, 卷号: 15
作者:
Sun, Lei
;
Zheng, Zhi-Ming
;
Shao, Chang-Sheng
;
Zhang, Zhi-Yong
;
Li, Ming-Wei
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2022/12/22
glucagon-like peptide-1
GLP-1 receptor agonist
functional protein design
molecular dynamics simulation
long-acting antihyperglycemic
Distinct binding kinetics of E-, P- and L-selectins to CD44
期刊论文
FEBS JOURNAL, 2021, 页码: 18
作者:
Li LD(李林达)
;
Ding QH(丁奇寒)
;
Zhou J(周瑾)
;
Wu Y(武亿)
;
Zhang MK(张明坤)
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2022/01/12
binding epitope
binding kinetics
CD44
selectin
Structural basis for the inhibition of SARS-CoV2 main protease by Indian medicinal plant-derived antiviral compounds
期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020, 页码: 9
作者:
Saravanan, Konda Mani
;
Zhang, Haiping
;
Senthil, Renganathan
;
Vijayakumar, Kevin Kumar
;
Sounderrajan, Vignesh
收藏
  |  
浏览/下载:118/0
  |  
提交时间:2020/12/10
SARS-CoV2
main protease
medicinal plants
molecular docking and dynamics
drug design
Estrogenic activity of benzotriazole UV stabilizers evaluated through in vitro assays and computational studies
期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2020, 卷号: 727, 页码: 1-11
作者:
Feng, Hongru
;
Cao, Huiming
;
Li, Juan
;
Zhang, Haiyan
;
Xue, Qiao
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  |  
浏览/下载:33/0
  |  
提交时间:2021/09/14
Endocrine disruption
Environmental contamination
Estrogen receptor
MVLN assay
Molecular docking and dynamics simulation
Cryo-EM Structure of the Human Cannabinoid Receptor CB2-G(i) Signaling Complex
期刊论文
CELL, 2020, 卷号: 180, 期号: 4, 页码: 645-+
作者:
Xing, Changrui
;
Zhuang, Youwen
;
Xu, Ting-Hai
;
Feng, Zhiwei
;
Zhou, X. Edward
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  |  
浏览/下载:51/0
  |  
提交时间:2020/07/01
Discovery and Biological Evaluation of New Selective Acetylcholinesterase Inhibitors with Anti-A beta Aggregation Activity through Molecular Docking-Based Virtual Screening
期刊论文
CHEMICAL & PHARMACEUTICAL BULLETIN, 2020, 卷号: 68, 期号: 2, 页码: 161-166
作者:
Liu, Guangpu
;
Jiao, Yang
;
Lin, Yongqiang
;
Hao, Haifang
;
Dou, Yanli
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  |  
浏览/下载:54/0
  |  
提交时间:2020/07/01
selective acetylcholinesterase inhibitor
amyloid beta aggregation
neuroprotectant
molecular docking
molecular dynamics simulation
Discovery of a potent and selective adenylyl cyclase type 8 agonist by docking-based virtual screening
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2020, 卷号: 30, 期号: 2, 页码: 7
作者:
Weng, Zhiying
;
Xu, Guowei
;
Chen, Dingyuan
;
Yang, Yaqing
;
Song, Gao
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  |  
浏览/下载:17/0
  |  
提交时间:2020/03/18
Adenylyl cyclases
Homology modeling
Consensus scoring
Molecular dynamics simulation
Virtual screening
Biological evaluation
Identification and Assessments of Novel and Potent Small-Molecule Inhibitors of EED-EZH2 Interaction of Polycomb Repressive Complex 2 by Computational Methods and Biological Evaluations
期刊论文
CHEMICAL & PHARMACEUTICAL BULLETIN, 2020, 卷号: 68, 期号: 1, 页码: 58-63
作者:
Zhu, Kongkai
;
Du, Daohai
;
Yang, Rui
;
Tao, Hongrui
;
Zhang, Hua
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  |  
浏览/下载:11/0
  |  
提交时间:2020/07/01
polycomb repressive complex 2
EZH2-EED interaction inhibitor
virtual screening
molecular dynamics simulation
Effective Virtual Screening Strategy toward heme-containing proteins: Identification of novel IDO1 inhibitors
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 184, 页码: 23
作者:
Zou, Yi
;
Hu, Yue
;
Ge, Shushan
;
Zheng, Yingbo
;
Li, Yuezhen
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2020/07/01
IDO1
Heme
T cell
Cancer immunotherapy
Virtual screening
Drug design
Molecular dynamics simulation
Homology modeling and 3D-QSAR study of benzhydrylpiperazine delta opioid receptor agonists
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 83, 页码: 9
作者:
Pan, Chenling
;
Meng, Hao
;
Zhang, Shuqun
;
Zuo, Zhili
;
Shen, Yuehai
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  |  
浏览/下载:24/0
  |  
提交时间:2020/03/18
delta opioid receptor agonists
3D-QSAR
Homology modeling
Molecular dynamics simulation
Molecular docking
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