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上海药物研究所 [31]
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期刊论文 [64]
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2020 [64]
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Molecular Sparse Representation by a 3D Ellipsoid Radial Basis Function Neural Network via L1 Regularization
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 12, 页码: 6054-6064
作者:
Gui, Sheng
;
Chen, Zhaodi
;
Lu, Benzhuo
;
Chen, Minxin
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2021/04/26
Metabolic Profiling of Nuciferine in Vivo and in Vitro
期刊论文
Journal of Agricultural and Food Chemistry, 2020, 卷号: 68, 期号: 48, 页码: 14135-14147
作者:
Gao, Hua
;
Zhang, Lei
;
Zhu, An
;
Liu, Xiaoyan
;
Wang, Tianxia
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2022/02/17
Biomolecules
Enzymes
Mammals
Mass spectrometry
Metabolites
Broad spectrum
Drug formulations
High resolution mass spectrometry
Metabolic characteristics
Metabolic profiling
Molecular docking
Nelumbo nucifera
Recombinant enzymes
Evaluation of the Estrogenic/Antiestrogenic Activities of Perfluoroalkyl Substances and Their Interactions with the Human Estrogen Receptor by Combining In Vitro Assays and In Silico Modeling
期刊论文
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2020, 卷号: 54, 期号: 22, 页码: 14514-14524
作者:
Li, Juan
;
Cao, Huiming
;
Feng, Hongru
;
Xue, Qiao
;
Zhang, Aiqian
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/09/14
Structure-Oriented Research on the Antiestrogenic Effect of Organophosphate Esters and the Potential Mechanism
期刊论文
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2020, 卷号: 54, 期号: 22, 页码: 14525-14534
作者:
Li, Juan
;
Cao, Huiming
;
Mu, Yunsong
;
Qu, Guangbo
;
Zhang, Aiqian
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/09/14
Binding properties of marine bromophenols with human protein tyrosine phosphatase 1B: Molecular docking, surface plasmon resonance and cellular insulin resistance study
期刊论文
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2020, 卷号: 163, 页码: 200-208
作者:
Luo, Jiao
;
Zhang, Renshuai
;
Wang, Xuehe
;
Hou, Zhanhui
;
Guo, Shuju
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  |  
浏览/下载:73/0
  |  
提交时间:2021/04/12
PTP1B
Bromophenol
Molecular docking
Surface plasmon resonance
Discovery of Novel IDH1 Inhibitor Through Comparative Structure-Based Virtual Screening
期刊论文
FRONTIERS IN PHARMACOLOGY, 2020, 卷号: 11, 页码: 11
作者:
Wang, Yuwei
;
Tang, Shuai
;
Lai, Huanling
;
Jin, Ruyi
;
Long, Xu
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2020/12/24
IDH1
gliomas
molecular docking
virtual screening
docking-based virtual screening
Prioritizing phthalate esters (PAEs) using experimental in vitro/vivo toxicity assays and computational in silico approaches
期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2020, 卷号: 398, 页码: 12
作者:
Hamid, Naima
;
Junaid, Muhammad
;
Manzoor, Rakia
;
Jia, Pan-Pan
;
Pei, De-Sheng
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  |  
浏览/下载:74/0
  |  
提交时间:2020/12/01
Mixture toxicity
Phthalates
HPG axis
Estrogen receptor
Zebrafish
Natural iridoids from Patrinia heterophylla showing anti-inflammatory activities in vitro and in vivo
期刊论文
BIOORGANIC CHEMISTRY, 2020, 卷号: 104, 页码: 1-11
作者:
Wu, Peng
;
Song, Ziteng
;
Li, Ying
;
Wang, Huimei
;
Zhang, Han
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  |  
浏览/下载:61/0
  |  
提交时间:2021/09/15
Iridoids
Anti-inflammatory potency
NO inhibition
Zebrafish model
Patrinia heterophylla
Rational design of a near-infrared fluorescence probe for highly selective sensing butyrylcholinesterase (BChE) and its bioimaging applications in living cell
期刊论文
TALANTA, 2020, 卷号: 219, 页码: 10
作者:
Ma, Jianlong
;
Lu, Xiaofeng
;
Zhai, Honglin
;
Li, Qiang
;
Qiao, Li
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2021/12/15
Fluorescent probe
Rational design
Highly selective
Butyrylcholinesterase
Transcriptomic analysis of glioblastoma multiforme providing new insights into GPR17 signaling communication
期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020, 页码: 14
作者:
Mutharasu, Gnanavel
;
Murugesan, Akshaya
;
Konda Mani, Saravanan
;
Yli-Harja, Olli
;
Kandhavelu, Meenakshisundaram
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/12/10
GPR17
signaling networks
glioblastoma multiforme
RNA-Seq
protein–
protein interface
kinases
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