中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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Advancing active compound discovery for novel drug targets: insights from AI-driven approaches
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2025, 页码: 12
作者:
Wang, Xing-you
;
Chen, Yang
;
Li, Yu-fan
;
Wei, Chao-yang
;
Liu, Meng-ya
  |  
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2025/08/20
AI-driven drug discovery
novel drug targets
molecular design
ligand exploration
phenotypic drug discovery
undruggable targets
Native Ligand-Inspired peptides for c-MET targeted PET probes development
期刊论文
OAI收割
EUROPEAN JOURNAL OF NUCLEAR MEDICINE AND MOLECULAR IMAGING, 2025, 页码: 18
作者:
Luo, Renli
;
Tan, Boyu
;
Zhang, Ying
;
Hu, Jing
;
Lin, Jia
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2025/08/20
C-MET
Native ligand
HGF
PET/CT imaging
Radiopharmaceuticals
Peptide probes
Discovery of novel GluN1/GluN3A NMDA receptor inhibitors using a deep learning-based method
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2025, 页码: 8
作者:
Wang, Shi-hang
;
Zeng, Yue
;
Yang, Hao
;
Tian, Si-yuan
;
Zhou, Yong-qi
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2025/07/25
N
-methyl-
D
-aspartate receptors
GluN1/GluN3A
ligand-based virtual screening
scaffold hopping
deep learning
GeminiMol
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:18/0
  |  
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:22/0
  |  
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:17/0
  |  
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:7/0
  |  
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
;
Zhang, Zilong
;
Zhang, Zhuan
;
Zou, Zhiwen
;
Zhuo, Yan
  |  
收藏
  |  
浏览/下载:29/0
  |  
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:29/0
  |  
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:22/0
  |  
提交时间:2024/12/06
Synchrotron radiation
Drug discovery
Protein crystals
Structure determination
Ligand screening