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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
上海药物研究所 [17]
采集方式
OAI收割 [17]
内容类型
期刊论文 [17]
发表日期
2020 [17]
学科主题
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浏览/检索结果:
共17条,第1-10条
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发表日期:2020
专题:上海药物研究所
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Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations
期刊论文
OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 12, 页码: 6242-6250
作者:
Abula, Amina
;
Xu, Zhijian
;
Zhu, Zhengdan
;
Peng, Cheng
;
Chen, Zhaoqiang
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2021/05/24
Computational Insights into the Conformational Accessibility and Binding Strength of SARS-CoV-2 Spike Protein to Human Angiotensin-Converting Enzyme 2
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2020, 卷号: 11, 期号: 24, 页码: 10482-10488
作者:
Peng, Cheng
;
Zhu, Zhengdan
;
Shi, Yulong
;
Wang, Xiaoyu
;
Mu, Kaijie
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2021/05/24
Crystallography-guided discovery of carbazole-based retinoic acid-related orphan receptor gamma-t (ROR gamma t) modulators: insights into different protein behaviors with "short" and "long" inverse agonists
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2020, 页码: 11
作者:
Yu, Ming-cheng
;
Yang, Feng
;
Ding, Xiao-yu
;
Sun, Nan-nan
;
Jiang, Zheng-yuan
  |  
收藏
  |  
浏览/下载:95/0
  |  
提交时间:2020/12/24
RORγ
t
cocrystal structures
MD simulation
“
short”
inverse agonists
agonists
“
long”
inverse agonists
Identification of SARS-CoV-2 entry inhibitors among already approved drugs
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2020, 页码: 7
作者:
Yang, Li
;
Pei, Rong-juan
;
Li, Heng
;
Ma, Xin-na
;
Zhou, Yu
  |  
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2020/12/24
COVID-19
SARS-CoV-2
virus entry inhibitors
high throughput screening assay
approved drug library
histamine receptor antagonists
clemastine
MSpectraAI: a powerful platform for deciphering proteome profiling of multi-tumor mass spectrometry data by using deep neural networks
期刊论文
OAI收割
BMC BIOINFORMATICS, 2020, 卷号: 21, 期号: 1, 页码: 15
作者:
Wang, Shisheng
;
Zhu, Hongwen
;
Zhou, Hu
;
Cheng, Jingqiu
;
Yang, Hao
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2020/12/24
Raw mass spectrometry data
Proteome profiling
Feature swath extraction
Deep neural networks
Multi-tumor types
Leave-one-out cross prediction strategy
Computational study of the substituent effect of halogenated fused-ring heteroaromatics on halogen bonding
期刊论文
OAI收割
JOURNAL OF MOLECULAR MODELING, 2020, 卷号: 26, 期号: 10, 页码: 12
作者:
Zhang, Qihua
;
Smalley, Adam
;
Zhu, Zhengdan
;
Xu, Zhijian
;
Peng, Cheng
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2020/12/21
Halogen bonding
Fused-ring heteroaromatics
Quantum chemistry calculation
sigma-hole
Electrostatic potential
Binding energy
Identification and characterization of isocitrate dehydrogenase 1 (IDH1) as a functional target of marine natural product grincamycin B
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2020, 页码: 13
作者:
Wang, Zheng
;
Li, Zeng-xia
;
Zhao, Wen-cao
;
Huang, Hong-bo
;
Wang, Jia-qi
  |  
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2020/12/24
grincamycin B
marine natural product
isocitrate dehydrogenase 1
apoptosis
ER stress
intracellular ROS
Zebrafish embryos
hematological malignancies
Sarsasapogenin improves adipose tissue inflammation and ameliorates insulin resistance in high-fat diet-fed C57BL/6J mice
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2020, 页码: 10
作者:
Yu, Yan-yan
;
Cui, Shi-chao
;
Zheng, Tian-nan
;
Ma, Hai-jian
;
Xie, Zhi-fu
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2020/12/24
insulin resistance
sarsasapogenin
adipose tissue inflammation
macrophage-adipocyte crosstalk
IKK/NF-kappa B
JNK
D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19
期刊论文
OAI收割
ACTA PHARMACEUTICA SINICA B, 2020, 卷号: 10, 期号: 7, 页码: 1239-1248
作者:
Shi, Yulong
;
Zhang, Xinben
;
Mu, Kaijie
;
Peng, Cheng
;
Zhu, Zhengdan
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2020/12/24
COVID-19
SARS-CoV-2
Target prediction
Multi-conformation
Multi-site
Docking
D3Targets-2019-nCoV
A novel phosphoramide compound, DCZ0847, displays in vitro and in vivo anti-myeloma activity, alone or in combination with bortezomib
期刊论文
OAI收割
CANCER LETTERS, 2020, 卷号: 478, 页码: 45-55
作者:
Chen, Gege
;
Hu, Ke
;
Sun, Haiguo
;
Zhou, Jinfeng
;
Song, Dongliang
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2020/07/01
Multiple myeloma
Bone marrow microenvironment
DNA damage
JAK2/STAT3 pathway