中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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Discovery of multi-chitinase inhibitors cinnamyl thiazolidinone compounds as candidates for insect growth regulators via ligand-based optimization strategies
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2025, 卷号: 306, 页码: 14
作者:
Jiang, Zhiyang
;
Shi, Dongmei
;
Fu, Haoyu
;
Li, Yan
;
Zou, Renxuan
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2025/05/27
Multi-chitinase inhibitor
Cinnamaldehyde compounds
Thiazolidinone compounds
Ligand-based optimization
Insect growth regulators (IGRs)
Proteome-Wide Data Guides the Discovery of Lysine-Targeting Covalent Inhibitors Using DNA-Encoded Chemical Libraries
期刊论文
OAI收割
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2025, 页码: 14
作者:
Wu, Xinyuan
;
Li, Shunyao
;
Liang, Ting
;
Yu, Qing
;
Zhang, Yiwei
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2025/06/23
Activity-based protein profiling data
Covalent DNA-encoded chemical library
Covalent ligand selection
Lysine-targeting covalent inhibitors
Phosphatidylinositol 4,5-bisphosphate activation mechanism of human KCNQ5
期刊论文
OAI收割
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2025, 卷号: 122, 期号: 14, 页码: 11
作者:
Yang, Zhenni
;
Zheng, Yueming
;
Ma, Demin
;
Wang, Long
;
Zhang, Jiatong
  |  
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2025/06/23
KCNQ
PIP2
ligand activation
structure
mechanism
Geriatric Nutritional Risk Index is an effective prognostic predictor for metastatic/recurrent or unresectable esophageal cancer receiving immunotherapy
期刊论文
OAI收割
JOURNAL OF GASTROINTESTINAL ONCOLOGY, 2025, 卷号: 16, 期号: 1, 页码: 22
作者:
Wang, Bei
;
Wang, Zixuan
;
Xu, Chuanhai
;
Wang, Yueqin
;
Gao, Honglan
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2025/05/27
Geriatric Nutritional Risk Index (GNRI)
esophageal squamous cell carcinoma (ESCC)
immune checkpoint inhibitors (ICIs)
programmed cell death ligand 1 (PD-L1)
Enhanced Gut-to-Liver Oral Drug Delivery via Ligand-Modified Nanoparticles by Attenuating Protein Corona Adsorption
期刊论文
OAI收割
ACS NANO, 2024, 卷号: 18, 期号: 52, 页码: 35310-35324
作者:
Wang, Jie
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2025/02/28
protein corona
ligand-modified nanoparticles
oral delivery
liver targeting
mucus
Synchrotron Radiation: A Key Tool for Drug Discovery
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 114, 页码: 10
作者:
Li, Fengcheng
;
Liu, Runze
;
Li, Wenjun
;
Xie, Mingyuan
;
Qin, Song
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2024/12/06
Synchrotron radiation
Drug discovery
Protein crystals
Structure determination
Ligand screening
Synchrotron Radiation: A Key Tool for Drug Discovery
期刊论文
OAI收割
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 114, 页码: 10
作者:
Li, Fengcheng
;
Liu, Runze
;
Li, Wenjun
;
Xie, Mingyuan
;
Qin, Song
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2024/12/06
Synchrotron radiation
Drug discovery
Protein crystals
Structure determination
Ligand screening
Interaction-Based Inductive Bias in Graph Neural Networks: Enhancing Protein-Ligand Binding Affinity Predictions From 3D Structures
期刊论文
OAI收割
IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE, 2024, 卷号: 46, 期号: 12, 页码: 8191-8208
作者:
Yang, Ziduo
;
Zhong, Weihe
;
Lv, Qiujie
;
Dong, Tiejun
;
Chen, Guanxing
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2025/01/14
Proteins
Programmable logic arrays
Three-dimensional displays
Predictive models
Graph neural networks
Data models
Convolution
Protein-ligand binding affinity
graph neural networks
inductive bias
drug-target interaction
structure-based virtual screening
Ligand-Enabled Pd-Catalyzed sp
3
C-H Macrocyclization: Synthesis and Evaluation of Macrocyclic Sulfonamide for the Treatment of Parkinson's Disease
期刊论文
OAI收割
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2024, 卷号: 63, 期号: 45, 页码: 11
作者:
Bi, Tongyu
;
Cui, Yunxia
;
Liu, Shuai
;
Yu, Haiyue
;
Qiu, Weirong
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2024/11/26
C-H activation
ligand-mediated macrocyclization
Pd catalysis
SIRT3
PD treatment
Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
期刊论文
OAI收割
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2024, 卷号: 121, 期号: 41, 页码: 11
作者:
Wang, Yujue
;
Xu, Youwei
;
Wang, Yue
;
Zhang, Jie
;
Chen, Lan
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2024/12/11
GPCR
somatostatin receptors
ligand selectivity
neuroendocrine tumor
|cryo-EM