机构

• 福建物质结构研究所 [24]
• 上海药物研究所 [13]
• 长春应用化学研究所 [8]
• 兰州化学物理研究所 [6]
• 化学研究所 [5]
• 宁波材料技术与工程研... [2]
• 更多

采集方式

• OAI收割 [66]
• iSwitch采集 [2]

内容类型

• 期刊论文 [67]
• 会议论文 [1]

发表日期

• 2025 [1]
• 2023 [1]
• 2021 [1]
• 2019 [2]
• 2018 [4]
• 2016 [2]
• 更多

学科主题

• Chemistry [6]
• 物理化学与绿色催化 [4]
• Pharmacolo... [2]
• 仿生与生物催化 [1]

筛选

浏览/检索结果: 共68条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序作者升序作者降序题名升序题名降序发表日期升序发表日期降序 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：6/0  |  提交时间：2025/08/20 AI-driven drug discovery  novel drug targets  molecular design  ligand exploration  phenotypic drug discovery  undruggable targets   Discovery of Potent and Selective CB2 Agonists Utilizing a Function-Based Computational Screening Protocol 期刊论文  OAI收割 ACS CHEMICAL NEUROSCIENCE, 2023, 卷号: 14, 期号: 21, 页码: 3941-3958 作者:  Ge, Haixia;  Ji, Beihong;  Fang, Jiahui;  Wang, Jiayang;  Li, Jing   |  收藏  |  浏览/下载：43/0  |  提交时间：2023/12/11 function-based ligand design  receptor-ligandbinding profile  CB1/CB2  structure-activityrelationship   Discovery of pseudolaric acid A as a new Hsp90 inhibitor uncovers its potential anticancer mechanism 期刊论文  OAI收割 BIOORGANIC CHEMISTRY, 2021, 卷号: 112, 页码: 104963 作者:  Liu,Jiangxin;  Wu,Xing-De;  Li,Wenyan;  Yuan,Zaifeng;  Yang,Kun   |  收藏  |  浏览/下载：46/0  |  提交时间：2022/04/02 Pseudolaric acid A  Hsp90 inhibitor  Apoptosis  NMR  Structure-activity relationship  Photoaffinity-based probe  Protein-ligand interaction  MOLECULAR CHAPERONE  PROTEIN  TARGET  CANCER  KINASE  NMR  IDENTIFICATION  SELECTIVITY  BINDING  DESIGN   Heteroaryl Backbone Strategy in Bisphosphine Monoxide Palladium-Catalyzed Ethylene Polymerization and Copolymerization with Polar Monomers 期刊论文  OAI收割 ORGANOMETALLICS, 2019, 卷号: 38, 期号: 15, 页码: 2990-2997 作者:  Ye, Junhao;  Mu, Hongliang;  Wang, Zhen;  Jian, Zhongbao   |  收藏  |  浏览/下载：50/0  |  提交时间：2019/12/18 CHAIN-WALKING POLYMERIZATION  HYPERBRANCHED POLYETHYLENES  INSERTION COPOLYMERIZATION  FUNCTIONAL POLYOLEFINS  NICKEL-CATALYSTS  VINYL MONOMERS  BITE ANGLE  LIGAND  COMPLEXES  DESIGN   Heteroaryl Backbone Strategy in Bisphosphine Monoxide Palladium-Catalyzed Ethylene Polymerization and Copolymerization with Polar Monomers 会议论文  OAI收割 作者:     |  收藏  |  浏览/下载：42/0  |  提交时间：2021/12/02 CHAIN-WALKING POLYMERIZATION  HYPERBRANCHED POLYETHYLENES  INSERTION COPOLYMERIZATION  FUNCTIONAL POLYOLEFINS  NICKEL-CATALYSTS  VINYL MONOMERS  BITE ANGLE  LIGAND  COMPLEXES  DESIGN   Application of ITC-Based Characterization of Thermodynamic and Kinetic Association of Ligands With Proteins in Drug Design 期刊论文  OAI收割 FRONTIERS IN PHARMACOLOGY, 2018, 卷号: 9 作者:  Su, Haixia;  Xu, Yechun   |  收藏  |  浏览/下载：35/0  |  提交时间：2019/01/08 ITC  thermodynamics  kinetics  protein-ligand recognition  drug design   Current Strategies and Applications for Precision Drug Design 期刊论文  OAI收割 FRONTIERS IN PHARMACOLOGY, 2018, 卷号: 9 作者:  Wang, Chen;  Xu, Pan;  Zhang, Luyu;  Huang, Jing;  Zhu, Kongkai   |  收藏  |  浏览/下载：69/0  |  提交时间：2019/01/08 precision medicine  precision drug design  computational modeling  deep learning  antibody-drug conjugates  ligand-targeted conjugates   Recent Trends and Applications of Molecular Modeling in GPCR-Ligand Recognition and Structure-Based Drug Design 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 7 作者:  Yuan, Xiaojing;  Xu, Yechun   |  收藏  |  浏览/下载：40/0  |  提交时间：2019/01/08 GPCR  receptor-ligand recognition  drug design  molecular modeling  molecular dynamics  docking  binding affinity  binding pathway   Identification and Characterizations of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Scaffold Hopping- and 2D-Molecular Fingerprint-Based Similarity Search 期刊论文  OAI收割 MOLECULES, 2018, 卷号: 23, 期号: 3 作者:  Ding, Hong;  Lu, Wen Chao   |  收藏  |  浏览/下载：71/0  |  提交时间：2019/01/08 SET7  inhibitor  similarity search  ligand-based drug design  chemical biology probe   Asymmetric Synthesis of Aromatic and Heteroaromatic -Amino Acids Using a Recyclable Axially Chiral Ligand 期刊论文  OAI收割 EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2016, 期号: 5, 页码: 999-1006 作者:  Li, Jia;  Zhou, Shengbin   |  收藏  |  浏览/下载：37/0  |  提交时间：2019/01/08 Axial chirality  Ligand design  Nickel  Amino acids  Alkylation  Diastereoselectivity