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复旦大学上海医学院 [17]
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期刊论文 [16]
会议论文 [1]
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2019 [1]
2017 [1]
2015 [2]
2014 [3]
2013 [4]
2012 [2]
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专题:复旦大学上海医学院
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In Silico Identification of Novel Aromatic Compounds as Potential HIV-1 Entry Inhibitors Mimicking Cellular Receptor CD4
期刊论文
VIRUSES-BASEL, 2019, 卷号: 11, 期号: 8
作者:
Kornoushenko, Yuri V.
;
Tuzikov, Alexander V.
;
Jiang, Shibo
;
Andrianov, Alexander M.
;
Nikolaev, Grigory I.
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/12/05
HIV-1 gp120 protein
cellular receptor CD4
CD4-mimetics
virtual screening
in silico click chemistry
molecular docking
quantum chemical calculations
molecular dynamics simulations
binding free energy calculations
anti-HIV-1 drugs
Discovery of novel DNA methyltransferase 3A inhibitors via structure-based virtual screening and biological assays
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2017, 卷号: 27, 期号: 2
作者:
Shao, Zhiyuan
;
Xu, Pan
;
Xu, Wen
;
Li, Linjuan
;
Liu, Shien
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/12/05
Epigenetics
DNMT3A inhibitors
Virtual screening
Molecular docking
Discovery, synthesis and biological evaluation of 2-(4-(N-phenethylsulfamoyl)phenoxy)acetamides (SAPAs) as novel sphingomyelin synthase 1 inhibitors
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY, 2015, 卷号: 23, 期号: 18
作者:
Li, Ya-li
;
Qi, Xiang-yu
;
Jiang, Hui
;
Deng, Xiao-dong
;
Dong, Yan-ping
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/19
Sphingomyelin synthase
Inhibitor
Structure-based virtual screening
Molecular docking
Point mutagenesis
Novel fatty acid binding protein 4 (FABP4) inhibitors: Virtual screening, synthesis and crystal structure determination
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2015, 卷号: 90
作者:
Cai, Haiyan
;
Liu, Qiufeng
;
Gao, Dingding
;
Wang, Ting
;
Chen, Tiantian
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/19
FABP4
Inhibitor
Diabetes
Virtual screening
Crystal structure
Selective ligands of estrogen receptor beta discovered using pharmacophore mapping and structure-based virtual screening
期刊论文
ACTA PHARMACOLOGICA SINICA, 2014, 卷号: 35, 期号: 10
作者:
Chen, Lei
;
Wu, Dang
;
Bian, Han-ping
;
Kuang, Guang-lin
;
Jiang, Jing
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/19
estrogen receptor
subtype-selective ligand
estradiol
tamoxifen
pharmacophore mapping
structure-based virtual screening
breast cancer
anti-proliferation
cell cycle arrest
Identification of small molecule sphingomyelin synthase inhibitors
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2014, 卷号: 73
作者:
Deng, Xiaodong
;
Lin, Fu
;
Zhang, Ya
;
Li, Yan
;
Zhou, Lu
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/19
Sphingomyelin synthase
Small-molecule inhibitors
Structure-based virtual screening
Atherosclerosis
Discovery of novel small-molecule Src kinase inhibitors via a kinase-focused druglikeness rule and structure-based virtual screening
期刊论文
MOLECULAR SIMULATION, 2014, 卷号: 40, 期号: 4
作者:
Li, Bian
;
Xu, Lili
;
Shen, Qing
;
Gu, Xianfeng
;
Fu, Wei
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/19
Src kinase
kinase-focused druglikeness rule
structure-based virtual screening
ligand efficiency
Identification and characterization of small molecule inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 卷号: 23, 期号: 7
作者:
Zhang, Mingming
;
Zhu, Weiliang
;
Ding, Ning
;
Zhang, Wei
;
Li, Yingxia
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/19
STAT3 signaling
Small-molecule inhibitors
Virtual screening
Cell viability
Antitumor activity
Aldose reductase from Schistosoma japonicum: crystallization and structure-based inhibitor screening for discovering antischistosomal lead compounds
期刊论文
PARASITES & VECTORS, 2013, 卷号: 6
作者:
Liu, Jian
;
Dyer, David H.
;
Cheng, Jingdong
;
Wang, Jipeng
;
Wang, Shuqi
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/19
Schistosoma japonicum
Aldose reductase (AR)
Structure
Virtual screening
Drug target
Novel fatty acid binding protein 4 (FABP4) inhibitors: virtual screening, synthesis and crystal structure determination
会议论文
作者:
Cai HY(蔡海燕)
;
Chen KX(陈凯先)
;
Ding HP(丁海鹏)
;
Chen TT(陈甜甜)
;
Yan GR(闫桂蕊)
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/19
FABP4
inhibitor
diabetes
virtual screening
crystal structure
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