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The discovery of a novel series of potential ERR alpha inverse agonists based on p-nitrobenzenesulfonamide template for triple-negative breast cancer in vivo
期刊论文
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, 2022, 卷号: 37, 期号: 1, 页码: 125-134
作者:
Gao, Zhipei
;
Wang, Tianxiao
;
Li, Rui
;
Du, Yongli
;
Lv, Han
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2022/01/18
ERR alpha
TNBC
p-Nitrobenzenesulfonamide
inverse agonist
Molecular Dynamics Simulations Based on 1-Phenyl-4-Benzoyl-1-Hydro-Triazole ERR alpha Inverse Agonists
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2021, 卷号: 22, 期号: 7, 页码: 14
作者:
Gao, Zhipei
;
Du, Yongli
;
Sheng, Xiehuang
;
Shen, Jingkang
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2021/05/24
ERRα
inverse agonists
1-phenyl-4-benzoyl-1-hydro-triazole
MD simulations
Crystallography-guided discovery of carbazole-based retinoic acid-related orphan receptor gamma-t (ROR gamma t) modulators: insights into different protein behaviors with "short" and "long" inverse agonists
期刊论文
ACTA PHARMACOLOGICA SINICA, 2020, 页码: 11
作者:
Yu, Ming-cheng
;
Yang, Feng
;
Ding, Xiao-yu
;
Sun, Nan-nan
;
Jiang, Zheng-yuan
收藏
  |  
浏览/下载:85/0
  |  
提交时间:2020/12/24
RORγ
t
cocrystal structures
MD simulation
“
short”
inverse agonists
agonists
“
long”
inverse agonists
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
Designing of novel ERR gamma inverse agonists by molecular modeling studies of docking and 3D-QSAR on hydroxytamoxifen derivatives
期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2019, 卷号: 28, 期号: 10, 页码: 1661-1673
作者:
Li, Rui
;
Du, Yongli
;
Shen, Jingkang
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2020/07/01
ERR gamma inverse agonist
Molecular docking
3D-QSAR
CoMFA
CoMSIA
Discovery of N-indanyl benzamides as potent ROR gamma t inverse agonists
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 167
作者:
Liu, Jin
;
Wang, Yonghui
;
Shao, Liming
;
Liu, Li
;
Tian, Jinlong
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2019/12/05
N-indanyl benzamides
ROR gamma t inverse agonists
Th17 cells
Autoimmune diseases
Binding modes
A Drug with Lipophilicity-Dependent Potency Can Be Metabolically Stable: Discovery of a Potent and Selective Retinoic Acid Receptor-Related Orphan Receptor C2 (RORC2) Inverse Agonist as an Orally Bioavailable Anti-Inflammatory Agent
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2018, 卷号: 61, 期号: 23, 页码: 10412-10414
作者:
Wang, Yibing
;
Liu, Hong
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  |  
浏览/下载:78/0
  |  
提交时间:2019/01/08
From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
期刊论文
ACS MEDICINAL CHEMISTRY LETTERS, 2018, 卷号: 9, 期号: 2
作者:
Huang, Yafei
;
Wang, Yonghui
;
Cai, Wei
;
Tang, Ting
;
Liu, Qian
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/12/05
ROR gamma t
agonist
inverse agonist
cocrystal structure
Th17 cell differentiation
biaryl amides
Molecular Mechanism of Action of RORt Agonists and Inverse Agonists: Insights from Molecular Dynamics Simulation
期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 12
作者:
Sun, Nannan
;
Yuan, Congmin
;
Ma, Xiaojun
;
Wang, Yonghui
;
Gu, Xianfeng
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/05
RORt
molecular mechanism of action (MOA)
agonist
inverse agonist
Discovery of carbazole carboxamides as novel ROR gamma t inverse agonists
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2018, 卷号: 148
作者:
Huang, Yafei
;
Yu, Mingcheng
;
Sun, Nannan
;
Tang, Ting
;
Yu, Fazhi
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/05
Carbazole carboxamides
ROR gamma t inverse agonists
Th17 cells
Autoimmune diseases
Binding mode
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