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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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上海药物研究所 [40]
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期刊论文 [74]
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浏览/检索结果:
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Computer-Aided Design of Self-Assembled Nanoparticles to Enhance Cancer Chemoimmunotherapy via Dual-Modulation Strategy
期刊论文
OAI收割
ADVANCED HEALTHCARE MATERIALS, 2025, 页码: 15
作者:
Shan, Xiaoting
;
Cai, Ying
;
Zhu, Binyu
;
Sun, Xujie
;
Zhou, Lingli
  |  
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2025/04/01
cancer chemoimmunotherapy
computer-aided design
nanoparticles
pharmacophore hybridization
triple-negative breast cancer
Discovery of orally effective and safe GPR40 agonists by incorporating a chiral, rigid and polar sulfoxide into 8-position to the carboxylic acid
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 251, 页码: 115267
作者:
Chen, Cheng
;
Guo, Shi-Meng
;
Sun, Yuanjun
;
Li, He
;
Hu, Nan
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2024/03/27
GPR40
Glucose-stimulated insulin secretion
Type 2 diabetes mellitus
Lipophilicity
Liver safety
Three-in-one pharmacophore
2-(phenylsulfinyl)acetic acid
Design, synthesis and biological evaluation of novel dihydrobenzodioxine derivatives as HBV capsid protein inhibitors
期刊论文
OAI收割
BIOORGANIC CHEMISTRY, 2022, 卷号: 128, 页码: 12
作者:
Liu, Linyue
;
Li, Chuanju
;
Xie, Yong
;
Zhang, Lei
;
Chen, Yunfu
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/10/17
HBV
Capsid protein inhibitors
Pharmacophore hybrid
Scaffold hopping
HepAD38 cells
Review of Voltage-gated Calcium Channel alpha 2 delta Subunit Ligands for the Treatment of Chronic Neuropathic Pain and Insight into Structure-activity Relationship (SAR) by Pharmacophore Modeling
期刊论文
OAI收割
CURRENT MEDICINAL CHEMISTRY, 2022, 卷号: 29, 期号: 30, 页码: 5097-5112
作者:
Chen, Yuting
;
Wu, Qingqing
;
Jin, Zhengsheng
;
Qin, Yanlan
;
Meng, Fancui
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2022/11/11
Voltage-gated calcium channel
alpha 2 delta subunit
neuropathic pain
structure-activity relationship (SAR)
pharmacophore modeling
gabapentinoids
Discovery of potentially biased agonists of mu-opioid receptor (MOR) through molecular docking, pharmacophore modeling, and MD simulation
期刊论文
OAI收割
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2021, 卷号: 90, 页码: 107405
作者:
Jiang,Xuan
;
Li,Shuxiang
;
Zhang,Hongbin
;
Wang,Liang-Liang
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2022/04/02
mu-Opioid receptors (MOR)
Biased ligands
Molecular docking
Hip-hop pharmacophore
MD simulation
Pharmacophore-Based Virtual Screening Toward the Discovery of Novel Anti-echinococcal Compounds
期刊论文
OAI收割
FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY, 2020, 卷号: 10, 页码: 12
作者:
Liu, Congshan
;
Yin, Jianhai
;
Yao, Jiaqing
;
Xu, Zhijian
;
Tao, Yi
  |  
收藏
  |  
浏览/下载:44/0
  |  
提交时间:2020/07/01
echinococcosis
Echinococcus multilocularis
pharmacophore modeling
virtual screenings
in vitro drug screen
cytotoxicity
E
multilocularis-infected mice
pharmacokinetics analysis
Efficient synthesis, biological evaluation, and docking study of isatin based derivatives as caspase inhibitors
期刊论文
OAI收割
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, 2020, 卷号: 35, 期号: 1, 页码: 1674-1684
作者:
Firoozpour, Loghman
;
Gao, Lixin
;
Moghimi, Setareh
;
Pasalar, Parvin
;
Davoodi, Jamshid
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2020/12/24
Caspase inhibitor
Isatin sulphonamides
docking studies
Pharmacophore
apoptosis
Discovery of new multifunctional selective acetylcholinesterase inhibitors: structure-based virtual screening and biological evaluation
期刊论文
OAI收割
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2019, 卷号: 33, 期号: 5, 页码: 521-530
作者:
Jiang, Cheng-Shi
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2020/07/01
AChE inhibitor
Pharmacophore model
Molecular docking
Anti-A aggregation
Neuroprotective activity
Three new compounds with nitric oxide inhibitory activity from Tirpitzia sinensis, an ethnomedicinal plant from Southwest China
期刊论文
OAI收割
BMC CHEMISTRY, 2019, 卷号: 13, 页码: 12
作者:
Gu, Ronghui
;
Wang, Yuehu
;
Wu, Shibiao
;
Wang, Yeling
;
Li, Ping
  |  
收藏
  |  
浏览/下载:77/0
  |  
提交时间:2019/07/29
Tirpitzia sinensis
Linaceae
Lignans
Inflammatory
NO inhibition
Pharmacological targets
Pharmacophore
In silico
Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study
期刊论文
OAI收割
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176
作者:
Li, Yingying
;
Peng, Jiale
;
Li, Penghua
;
Du, Haibo
;
Li, Yaping
  |  
收藏
  |  
浏览/下载:68/0
  |  
提交时间:2019/07/29
Pharmacophore modeling
Molecular docking
Quantitative structure activity relationship (QSAR)
Molecular dynamics
AMPK
Activator