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 [11]
昆明植物研究所 [4]
化学研究所 [1]
大连化学物理研究所 [1]
合肥物质科学研究院 [1]
昆明动物研究所 [1]
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采集方式
OAI收割 [19]
内容类型
期刊论文 [19]
发表日期
2022 [1]
2019 [1]
2018 [2]
2017 [2]
2014 [1]
2013 [3]
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学科主题
Biochemist... [1]
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Integrated Transcriptomics and Reverse Pharmacophore Mapping-based Network Pharmacology to Explore the Mechanisms of Natural Compounds against Doxorubicin-induced Cardiotoxicity
期刊论文
OAI收割
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2022, 卷号: 25
作者:
Zhu, Junfeng
;
Yi, Xiaojiao
;
Ding, Haiying
;
Zhong, Like
;
Fang, Luo
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2022/12/22
Doxorubicin-induced cardiotoxicity
natural compounds
mechanism of action
gene expression profile
bioinformatics
network pharmacology
Discovery of novel indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors by virtual screening
期刊论文
OAI收割
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 78, 页码: 306-316
作者:
Zhou, Yeheng
;
Peng, Jiale
;
Li, Penghua
;
Du, Haibo
;
Li, Yaping
  |  
收藏
  |  
浏览/下载:57/0
  |  
提交时间:2019/03/25
IDO1
Molecular docking
HipHop pharmacophore
3D-QSAR
PAINS
Discovery of new potent protein arginine methyltransferase 5 (PRMT5) inhibitors by assembly of key pharmacophores from known inhibitors
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2018, 卷号: 28, 期号: 23-24, 页码: 3693-3699
作者:
Zhu, Kongkai
;
Song, Jia-Li
;
Tao, Hong-Rui
;
Cheng, Zhi-Qiang
;
Jiang, Cheng-Shi
  |  
收藏
  |  
浏览/下载:100/0
  |  
提交时间:2019/01/08
Pharmacophore combination
Isoquinoline
PRMT5 inhibitor
Molecular docking
Molecular dynamics simulation
Discovery of FIXa inhibitors by combination of pharmacophore modeling, molecular docking, and 3D-QSAR modeling
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:
Li, Penghua
;
Peng, Jiale
;
Zhou, Yeheng
;
Li, Yaping
;
Liu, XingYong
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2018/12/27
Virtual screening of B-Raf kinase inhibitors: A combination of pharmacophore modelling, molecular docking, 3D-QSAR model and binding free energy calculation studies
期刊论文
OAI收割
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 70, 页码: 186-190
作者:
Zhang, Wen
;
Qiu, Kai-Xiong
;
Yu, Fang
;
Xie, Xiao-Guang
;
Zhang, Shu-Qun
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2017/12/11
B-raf Kinase Inhibitors
Virtual Screening
Pharmacophore
Molecular Docking
3d Qsar
Binding Free Energy Calculation
Exploration of Modern Fixed Dose Combinatorial Medicine Based on Classical Compatibility of Traditional Chinese Medicine
期刊论文
OAI收割
Modernization of Traditional Chinese Medicine and Materia Medica--World Science and Technology, 2017, 卷号: 19, 期号: 11, 页码: 1765-1767
作者:
Huang Chenggang
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/01/08
Compatibility of traditional Chinese medicine
Chinese medicine compound
pharmacophore basis
research and development of innovative drugs
4-Quinolone-3-carboxylic acids as cell-permeable inhibitors of protein tyrosine phosphatase 1B
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY, 2014, 卷号: 22, 期号: 14, 页码: 3670-3683
作者:
Zhi, Ying
;
Gao, Li-Xin
;
Jin, Yi
;
Tang, Chun-Lan
;
Li, Jing-Ya
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2019/01/08
Protein tyrosine phosphatase 1B inhibitor
4-Quinolone-3-carboxylic acid
Bidentate ligand
Bioisostere
Insulin receptor signaling
Combinatorial Pharmacophore Modeling of Organic Cation Transporter 2 (OCT2) Inhibitors: Insights into Multiple Inhibitory Mechanisms
期刊论文
OAI收割
MOLECULAR PHARMACEUTICS, 2013, 卷号: 10, 期号: 12, 页码: 4611-4619
作者:
Xu, Yuan
;
Liu, Xian
;
Li, Shanshan
;
Zhou, Nannan
;
Gong, Likun
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/01/08
organic cation transporter 2 (OCT2)
drug clearance
drug-drug interaction (DDI)
pharmacophore
multiple inhibition mechanism
Discovery of a novel 5-carbonyl-1H-imidazole-4-carboxamide class of inhibitors of the HIV-1 integrase-LEDGF/p75 interaction
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY, 2013, 卷号: 21, 期号: 19, 页码: 5963-5972
作者:
Serrao, Erik
;
Xu, Zhong-Liang
;
Debnath, Bikash
;
Christ, Frauke
;
Debyser, Zeger
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/01/08
HIV-1
Integrase
LEDGF/p75
5-carbonyl-1H-Imidazole-4-carboxamide
Protein-protein interaction
Antiviral
PDB ID code2B4J
3D-QSAR and pharmacophore model study on aryl diphenolic azoles as estrogen receptor-beta ligands
期刊论文
OAI收割
medicinal chemistry research, 2013, 卷号: 22, 期号: 9, 页码: 4468-4480
作者:
Luo, Hua-Jun
;
Zou, Kun
;
Huang, Nian-Yu
;
Wang, Jun-Zhi
;
Deng, Wei-Qiao
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2015/11/09
Pharmacophore
3D-QSAR
Estrogen receptor-beta
Prediction