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科研机构
上海药物研究所 [83]
内容类型
期刊论文 [83]
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2021 [2]
2020 [5]
2019 [5]
2018 [4]
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内容类型:期刊论文
专题:上海药物研究所
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Exploration of the SAR Connection between Morphinan- and Arylacetamide-Based kappa Opioid Receptor (kappa OR) Agonists Using the Strategy of Bridging
期刊论文
ACS CHEMICAL NEUROSCIENCE, 2021, 卷号: 12, 期号: 6, 页码: 1018-1030
作者:
Liu, Xiao
;
Jiang, Shuang
;
Kong, Linghui
;
Ye, Rongrong
;
Xiao, Li
收藏
  |  
浏览/下载:114/0
  |  
提交时间:2021/05/24
Morphinans
arylacetamidyl substituent
kappa opioid receptor modulators
structure-activity relationships
Design, Synthesis, and Structure-Activity Relationship Exploration of Alkyl/Phenylalkyl Piperidine Analogues as Novel Highly Potent and Selective mu Opioid Receptor Agonists
期刊论文
ACS CHEMICAL NEUROSCIENCE, 2021, 卷号: 12, 期号: 2, 页码: 285-299
作者:
Huang, Huoming
;
Li, Xinwei
;
Guo, Wei
;
Zhu, Chen
;
Qian, Yuanyuan
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2021/05/24
pain
opioid analgesic
SAR
selective MOR agonist
molecular dynamics simulations
Design and synthesis of novel desfluoroquinolone-aminopyrimidine hybrids as potent anti-MRSA agents with low hERG activity
期刊论文
BIOORGANIC CHEMISTRY, 2020, 卷号: 103, 页码: 10
作者:
Song, Runzhe
;
Wang, Yue
;
Wang, Minghui
;
Gao, Ruixuan
;
Yang, Teng
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2020/12/24
Desfluoroquinolone
Aminopyrimidine
Hybrids
Anti-MRSA
hERG activity
Computational study of the substituent effect of halogenated fused-ring heteroaromatics on halogen bonding
期刊论文
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:52/0
  |  
提交时间:2020/12/21
Halogen bonding
Fused-ring heteroaromatics
Quantum chemistry calculation
sigma-hole
Electrostatic potential
Binding energy
Structural Modifications of the Triazolo-thiadiazole Derivatives as DOT1L Inhibitors and Their Activities
期刊论文
CHINESE JOURNAL OF ORGANIC CHEMISTRY, 2020, 卷号: 40, 期号: 5, 页码: 1345-1354
作者:
Xu Xiaoming
;
Guo Siqi
;
Zhang Jing
;
Chen Yantao
;
Kang Yaqing
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2020/12/24
DOT1L inhibitor
ttriazolo-thiadiazole
structural modification
hydrophobic substituent
structure-activity analysis
alpha-Ketoamides as Broad-Spectrum Inhibitors of Coronavirus and Enterovirus Replication: Structure-Based Design, Synthesis, and Activity Assessment
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 9, 页码: 4562-4578
作者:
Zhang, Linlin
;
Lin, Daizong
;
Kusov, Yuri
;
Nian, Yong
;
Ma, Qingjun
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2020/07/01
Synthesis and Structure-Activity Relationship of Palmatine Derivatives as a Novel Class of Antibacterial Agents against Helicobacter pylori
期刊论文
MOLECULES, 2020, 卷号: 25, 期号: 6, 页码: 12
作者:
Fan, Tianyun
;
Guo, Xixi
;
Zeng, Qingxuan
;
Wei, Wei
;
You, Xuefu
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/07/01
Helicobacter pylori
palmatine
synthesis
structure-activity relationship
urease
2Ch-2N square and hexagon interactions: a combined crystallographic data analysis and computational study
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 38, 页码: 21568-21576
作者:
Lu, Yunxiang
;
Li, Wenxia
;
Yang, Weiwei
;
Zhu, Zhengdan
;
Xu, Zhijian
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2020/07/01
A comparative study of S center dot center dot center dot pi chalcogen bonds between SF2 or SFH and C-C multiple bonds
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2019, 卷号: 1188, 页码: 62-68
作者:
Su, He
;
Wu, Han
;
Wang, Hui
;
Wang, Hongyan
;
Ni, Yuxiang
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2020/07/01
Noncovalent chalcogen bond
First-principles
Molecular structure
Electronic properties
Energetic effects
Pharmacokinetics-Driven Optimization of 4(3H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 62, 期号: 10, 页码: 4979-4990
作者:
Wang, Zhen
;
Jiang, Xiangrui
;
Zhang, Xianglei
;
Tian, Guanghui
;
Yang, Rulei
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2020/07/01
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