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科研机构
上海药物研究所 [10]
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期刊论文 [10]
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2020 [2]
2017 [2]
2015 [1]
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Active constituents and mechanisms of Respiratory Detox Shot, a traditional Chinese medicine prescription, for COVID-19 control and prevention: Network -molecular docking-LC-MSE analysis
期刊论文
JOURNAL OF INTEGRATIVE MEDICINE-JIM, 2020, 卷号: 18, 期号: 3, 页码: 229-241
作者:
Zhang, Zi-jia
;
Wu, Wen-yong
;
Hou, Jin-jun
;
Zhang, Lin-lin
;
Li, Fei-fei
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2020/07/01
Lung-toxin Dispelling Formula No. 1
COVID-19
3C-like protease
Network pharmacology
Molecular docking
Meridian tropism
Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 1, 页码: 226-234
作者:
Kamsri, Pharit
;
Hanwarinroj, Chayanin
;
Phusi, Naruedon
;
Pornprom, Thimpika
;
Chayajarus, Kampanart
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2020/07/01
Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2017, 卷号: 60, 期号: 24, 页码: 10231-10244
作者:
Liu, Qiufeng
;
Huang, Fubao
;
Yuan, Xiaojing
;
Wang, Kai
;
Zou, Yi
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2019/01/08
Machine-Learning-Assisted Approach for Discovering Novel Inhibitors Targeting Bromodomain-Containing Protein 4
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017, 卷号: 57, 期号: 7, 页码: 1677-1690
作者:
Xing, Jing
;
Lu, Wenchao
;
Liu, Rongfeng
;
Wang, Yulan
;
Xie, Yiqian
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/01/08
Structure-Activity Relationships and Anti-inflammatory Activities of N-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2015, 卷号: 55, 期号: 9, 页码: 1994-2004
作者:
Zhang, Yu
;
Xu, Lei
;
Zhang, Zhiqiang
;
Zhang, Zhiyu
;
Zheng, Longtai
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2019/01/08
Rapid Generation of Privileged Substructure-Based Compound Libraries with Structural Diversity and Drug-Likeness
期刊论文
ACS COMBINATORIAL SCIENCE, 2014, 卷号: 16, 期号: 4, 页码: 184-191
作者:
Zhang, Lei
;
Zheng, Mingyue
;
Zhao, Fei
;
Zhai, Yun
;
Liu, Hong
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/01/08
indole
diversity-oriented synthesis
drug-like
privileged structure
microwave
Multi-algorithm and multi-model based drug target prediction and web server
期刊论文
ACTA PHARMACOLOGICA SINICA, 2014, 卷号: 35, 期号: 3, 页码: 419-431
作者:
Liu, Ying-tao
;
Li, Yi
;
Huang, Zi-fu
;
Xu, Zhi-jian
;
Yang, Zhuo
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/01/08
drug target
protein sequence
multi-algorithm and multi-model strategy
web server
support vector machine
neural network
decision tree
CCLab-a multi-objective genetic algorithm based combinatorial library design software and an application for histone deacetylase inhibitor design
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2012, 卷号: 22, 期号: 14, 页码: 4540-4545
作者:
Fang, Guanghua
;
Xue, Mengzhu
;
Su, Mingbo
;
Hu, Dingyu
;
Li, Yanlian
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2019/01/08
Combinatorial library design
Multi-objective optimization
Histone deactetylase
Inhibitor
An integrated drug-likeness study for bicyclic privileged structures: from physicochemical properties to in vitro ADME properties
期刊论文
MOLECULAR DIVERSITY, 2011, 卷号: 15, 期号: 4, 页码: 857-876
作者:
Han, Chunyan
;
Zhang, Jinlan
;
Zheng, Mingyue
;
Xiao, Yao
;
Li, Yan
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/01/08
Physicochemical properties
Pharmacokinetic properties
Privileged structure
Drug-likeness
ADME
A new rapid and effective chemistry space filter in recognizing a druglike database
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2005, 卷号: 45, 期号: 4, 页码: 856-862
作者:
Zheng, SX
;
Luo, XM
;
Chen, G
;
Zhu, WL
;
Shen, JH
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/01/08
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