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浏览/检索结果: 共182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：4/0  |  提交时间：2025/08/20 AI-driven drug discovery  novel drug targets  molecular design  ligand exploration  phenotypic drug discovery  undruggable targets   Molecular basis for ligand recognition and receptor activation of the prostaglandin D2 receptor DP1 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: 22, 页码: 11 作者:  Xu, Jiuyin;  Wu, Yanli;  Xu, Youwei;  Li, Yang;  He, Xinheng   |  收藏  |  浏览/下载：2/0  |  提交时间：2025/08/20 prostaglandin D2 receptor 1  receptor activation  drug design   Design, synthesis, and activity evaluation of indole derivatives as potential stabilizers for p53 Y220C 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2025, 卷号: 121, 页码: 9 作者:  Li, Linquan;  Gu, Xi;  Meng, Jingyi;  Wen, Yiming;  Yi, Jing   |  收藏  |  浏览/下载：10/0  |  提交时间：2025/05/27 p53 Y220C  Synthesis  Structural modification  Drug design   Aspects and Implementation of Pharmaceutical Quality by Design from Conceptual Frameworks to Industrial Applications 期刊论文  OAI收割 PHARMACEUTICS, 2025, 卷号: 17, 期号: 5, 页码: 24 作者:  Yang, Shiwei;  Hu, Xingming;  Zhu, Jinmiao;  Zheng, Bin   |  收藏  |  浏览/下载：16/0  |  提交时间：2025/07/25 quality by design  design of experiments  drug development   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：29/0  |  提交时间：2025/01/14 AlphaFold  structure-based drug design  artificial intelligence  GPCR  structural biology   Discovery of the potent covalent inhibitor with an acrylate warhead for SARS-CoV-2 3CL protease 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 112, 页码: 5 作者:  Shen, Wen;  Chen, Xinyao;  Zhou, Liping;  Cheng, Yan;  Zhang, Yan   |  收藏  |  浏览/下载：47/0  |  提交时间：2024/10/21 COVID-19  SARS-CoV-2 3CL pro inhibitor  Drug design  Antiviral activities   Discovery and characterization of novel potent non-covalent small molecule inhibitors targeting papain-like protease from SARS-CoV-2 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2024, 卷号: 14, 期号: 7, 页码: 3286-3290 作者:  Zheng, Miao;  Feng, Bo;  Zhang, Yumin;  Liu, Xin;  Zhao, Na   |  收藏  |  浏览/下载：30/0  |  提交时间：2024/08/22 Non-covalent PLpro inhibitors  Antiviral activity  Structural-based drug design  Imidazo[4,5-b]pyridine scaffold   DockingGA: enhancing targeted molecule generation using transformer neural network and genetic algorithm with docking simulation 期刊论文  OAI收割 BRIEFINGS IN FUNCTIONAL GENOMICS, 2024, 页码: 12 作者:  Gao, Changnan;  Bao, Wenjie;  Wang, Shuang;  Zheng, Jianyang;  Wang, Lulu   |  收藏  |  浏览/下载：30/0  |  提交时间：2024/05/20 molecule generation  molecule optimization  drug discovery  deep learning  drug design  genetic algorithm   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：41/0  |  提交时间：2024/02/27 AXL inhibitor  In vivo antitumor efficacy  6-Naphthyridin-4-one derivatives  Scaffold hopping  Structure-based drug design   The emergence of machine learning force fields in drug design 期刊论文  OAI收割 MEDICINAL RESEARCH REVIEWS, 2024, 页码: 36 作者:  Chen, Mingan;  Jiang, Xinyu;  Zhang, Lehan;  Chen, Xiaoxu;  Wen, Yiming   |  收藏  |  浏览/下载：41/0  |  提交时间：2024/02/19 computational chemistry  drug design  force field  machine learning  molecular modeling