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 [26]
昆明植物研究所 [9]
过程工程研究所 [7]
大连化学物理研究所 [4]
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期刊论文 [48]
学位论文 [2]
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2021 [1]
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Identification of 3H-benzo[b] [1,4] diazepine derivatives as PPAR alpha agonists by in silico studies and biochemical evaluation
期刊论文
OAI收割
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023, 页码: 16
作者:
Li, Yue
;
Lv, Mengjia
;
Shen, Meiling
;
Gu, Xi
;
Zhang, Li
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2023/10/17
NAFLD
PPAR alpha agonist
virtual screening
biochemical evaluation
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:21/0
  |  
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:13/0
  |  
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:32/0
  |  
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
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:63/0
  |  
提交时间:2019/07/29
Pharmacophore modeling
Molecular docking
Quantitative structure activity relationship (QSAR)
Molecular dynamics
AMPK
Activator
Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1
期刊论文
OAI收割
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2018, 卷号: 76, 页码: 53-60
作者:
Li, Yaping
;
Peng, Jiale
;
Zhou, Yeheng
;
Li, Penghua
;
Li, Yingying
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2018/11/12
Checkpoint kinase 1 inhibitor
Virtual screening
Pharmacophore modeling
Molecular docking
Molecular dynamics simulations
Discovery of novel wee1 inhibitors via structure-based virtual screening and biological evaluation
期刊论文
OAI收割
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2018, 卷号: 32, 期号: 9, 页码: 901-915
作者:
Li, Yaping
;
Pu, Yinglan
;
Liu, Hui
;
Zhang, Li
;
Liu, Xingyong
  |  
收藏
  |  
浏览/下载:50/0
  |  
提交时间:2018/11/06
Wee1 inhibitors
Pharmacophore model
Molecular docking
Virtual screening
Molecular dynamics simulation
Computer-Aided Drug Design in Epigenetics
期刊论文
OAI收割
FRONTIERS IN CHEMISTRY, 2018, 卷号: 6
作者:
Lu, Wenchao
;
Zhang, Rukang
;
Jiang, Hao
;
Zhang, Huimin
;
Luo, Cheng
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2019/01/08
drug discovery
epigenetics
small-molecule inhibitor
computer-aided drug design
virtual screening
Pharmacophore modeling, molecular docking and molecular dynamics studies on natural products database to discover novel skeleton as non-puricie xanthine oxidase inhibitors
期刊论文
OAI收割
PLASTID GENOME EVOLUTION, 2018, 卷号: 85, 页码: 293-313
作者:
Peng, Jiale
;
Li, Yaping
;
Zhou, Yeheng
;
Zhang, Li
;
Liu, Xingyong
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2018/12/27
Pharmacophore modeling, molecular docking and molecular dynamics studies on natural products database to discover novel skeleton as non-puricie xanthine oxidase inhibitors
期刊论文
OAI收割
JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION, 2018, 卷号: 38, 期号: 3, 页码: 246-255
作者:
Peng, Jiale
;
Li, Yaping
;
Zhou, Yeheng
;
Zhang, Li
;
Liu, Xingyong
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2019/03/29