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• Chemistry [4]
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浏览/检索结果: 共66条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择发表日期升序发表日期降序题名升序题名降序提交时间升序提交时间降序作者升序作者降序 Dynamic-GLEP: a dynamics-informed deep learning framework for ligand efficacy prediction in representative Class A GPCRs 期刊论文  OAI收割 BRIEFINGS IN BIOINFORMATICS, 2026, 卷号: 27, 期号: 1, 页码: 15 作者:  Chen, Zhiyi;  Hao, Yongxin;  Su, Yuhong;  Agren, Hans;  Chen, Mingan   |  收藏  |  浏览/下载：0/0  |  提交时间：2026/04/01 GPCR ligand efficacy  molecular dynamics  conformational ensembles  deep learning  structure-based drug design  transfer learning   Structure-Based Development of Ultra-Broad-Spectrum 3C-Like Protease Inhibitors 期刊论文  OAI收割 ADVANCED SCIENCE, 2025, 页码: 17 作者:  Su, Haixia;  Nie, Tianqing;  Chen, Guofeng;  Xiong, Muya;  Zhang, Yumin   |  收藏  |  浏览/下载：1/0  |  提交时间：2026/01/29 3C-like protease  conservation analysis of the binding pocket  co-crystal structure  structure-based drug design  ultra-broad-spectrum inhibitors   An update for AlphaFold3 versus experimental structures: assessing the precision of small molecule binding in GPCRs 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2025, 页码: 10 作者:  Shen, Shi-yi;  Li, Jun-rui;  Wang, Yu-song;  Li, Shao-ning;  Xu, H. Eric   |  收藏  |  浏览/下载：2/0  |  提交时间：2025/09/09 GPCR  AlphaFold3  experimental structures  global receptor architecture  orthosteric binding pockets  allosteric modulator  structure-based drug design   AlphaFold3 versus experimental structures: assessment of the accuracy in ligand-bound G protein-coupled receptors 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2024, 页码: 12 作者:  He, Xin-heng;  Li, Jun-rui;  Shen, Shi-yi;  Xu, H. Eric   |  收藏  |  浏览/下载：52/0  |  提交时间：2025/01/14 AlphaFold  structure-based drug design  artificial intelligence  GPCR  structural biology   Discovery of a 1,6-naphthyridin-4-one-based AXL inhibitor with improved pharmacokinetics and enhanced in vivo antitumor efficacy 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 265, 页码: 17 作者:  Lan, Yaohan;  Peng, Xia;  Ji, Yinchun;  Su, Yi;  Duan, Wenhu   |  收藏  |  浏览/下载：79/0  |  提交时间：2024/02/27 AXL inhibitor  In vivo antitumor efficacy  6-Naphthyridin-4-one derivatives  Scaffold hopping  Structure-based drug design   Structure-based drug discovery of novel fused- pyrazolone carboxamide derivatives as potent and selective AXL inhibitors 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2023, 卷号: 13, 期号: 12, 页码: 4918-4933 作者:  Fang, Feifei;  Dai, Yang;  Wang, Hao;  Ji, Yinchun;  Liang, Xuewu   |  收藏  |  浏览/下载：54/0  |  提交时间：2024/01/26 derivatives  Antitumor drug development  Potential AXL inhibitor  Antitumor activity  Structure-based drug design  Fused-pyrazolone carboxamide   Design and synthesis of 1H-pyrazolo[3,4-d]pyrimidine derivatives as hematopoietic progenitor kinase 1 (HPK1) inhibitors 期刊论文  OAI收割 BIOORGANIC CHEMISTRY, 2023, 卷号: 140, 页码: 18 作者:  Zhang, Junjie;  Li, Yan;  Tang, Haotian;  Zhou, Qianqian;  Tong, Linjiang   |  收藏  |  浏览/下载：73/0  |  提交时间：2023/12/08 Cancer immunotherapy  HPK1  Structure -based design  HPK1 inhibitor   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：60/0  |  提交时间：2023/12/11 function-based ligand design  receptor-ligandbinding profile  CB1/CB2  structure-activityrelationship   Design, synthesis and pharmacological evaluation of 2,3-dihydrobenzo-furan IRAK4 inhibitors for the treatment of diffuse large B-cell lymphoma 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 256, 页码: 16 作者:  Chen, Yun;  Ning, Yi;  Chen, Zhiwei   |  收藏  |  浏览/下载：59/0  |  提交时间：2023/10/17 Apoptosis  Diffuse large B-Cell lymphoma  Interleukin-1 receptor associated kinase 4  Structure-based drug design  2  3-Dihydrobenzofuran   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：55/0  |  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