机构

• 上海药物研究所 [22]
• 昆明植物研究所 [8]
• 大连化学物理研究所 [4]
• 化学研究所 [3]
• 金属研究所 [2]
• 上海生物化学与细胞生... [1]
• 更多

采集方式

• OAI收割 [40]
• iSwitch采集 [1]

内容类型

• 期刊论文 [41]

发表日期

• 2023 [2]
• 2022 [2]
• 2021 [3]
• 2020 [1]
• 2019 [4]
• 2018 [4]
• 更多

学科主题

• Chemistry,... [1]
• Chemistry;... [1]

筛选

浏览/检索结果: 共41条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择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发表日期升序发表日期降序 Discovery of 4-oxo-4,5-dihydropyrazolo[1,5-a]quinoxaline-7-carboxamide derivatives as PI3K alpha inhibitors via virtual screening and docking-based structure optimization 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY, 2023, 卷号: 86, 页码: 15 作者:  Gu, Dongyan;  Zhang, Mengmeng;  Cai, Lvtao;  Wang, Chang;  Zhou, Yu -Bo   |  收藏  |  浏览/下载：19/0  |  提交时间：2023/10/17 PI3K alpha inhibitors  Virtual screening  Structure optimization   Discovery of potential novel TRPC5 inhibitors by virtual screening and bioassay 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY, 2023, 卷号: 94, 页码: 117477 作者:  Shen,Meiling;  Li,Lingfeng;  Li,Yue;  Gu,Xi;  Bai,Longhui   |  收藏  |  浏览/下载：7/0  |  提交时间：2024/07/22 TRPC5  Inhibitors  Virtual screening  Ca 2+channel  CHANNELS  IDENTIFICATION  PERMEABILITY  CALCIUM   Learning with uncertainty to accelerate the discovery of histone lysine-specific demethylase 1A (KDM1A/LSD1) inhibitors 期刊论文  OAI收割 BRIEFINGS IN BIOINFORMATICS, 2022, 页码: 14 作者:  Wang, Dong;  Wu, Zhenxing;  Shen, Chao;  Bao, Lingjie;  Luo, Hao   |  收藏  |  浏览/下载：34/0  |  提交时间：2023/04/10 uncertainty estimation  graph neural network  KDM1A  LSD1 inhibitors  upper confidence bound method  virtual screening   Identification of PRMT5 inhibitors with novel scaffold structures through virtual screening and biological evaluations 期刊论文  OAI收割 JOURNAL OF MOLECULAR MODELING, 2022, 卷号: 28, 期号: 7, 页码: 184 作者:  Zhang, Qian;  Zhang, Lun;  Jin, Jia;  Fan, Yaohua;  Wang, Xiaoguang   |  收藏  |  浏览/下载：24/0  |  提交时间：2024/03/21 PRMT5  Small-molecule inhibitors  Virtual screening  Molecular docking  Molecular dynamics simulations   Structure-Based Virtual Screening and Identification of Potential Inhibitors of SARS-CoV-2 S-RBD and ACE2 Interaction 期刊论文  OAI收割 FRONTIERS IN CHEMISTRY, 2021, 卷号: 9, 页码: 12 作者:  Xiong, Jiacheng;  Xiang, Yusen;  Huang, Ziming;  Liu, Xiaohong;  Wang, Mengge   |  收藏  |  浏览/下载：82/0  |  提交时间：2021/12/01 SARS-CoV-2  angiotensin-converting enzyme 2 (ACE2)  spike protein receptor-binding domain (S-RBD)  structure-based virtual screening  protein-protein interaction (PPI) inhibitors   Design, synthesis and biological evaluation of pyrazolo[3,4-d]pyridazinone derivatives as covalent FGFR inhibitors 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2021, 卷号: 11, 期号: 3, 页码: 781-794 作者:  Wu, Xiaowei;  Dai, Mengdi;  Cui, Rongrong;  Wang, Yulan;  Li, Chunpu   |  收藏  |  浏览/下载：51/0  |  提交时间：2021/05/24 Tyrosine kinase  Covalent FGFR inhibitors  Virtual screening  Pyrazolo[3,4-d] pyridazinone  Structure-activity relationships  Antitumor efficacy   Discovery of 2-(5-(quinolin-6-yl)-1,3,4-oxadiazol-2-yl)acetamide derivatives as novel PI3K alpha inhibitors via docking-based virtual screening 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY, 2021, 卷号: 29, 页码: 9 作者:  Gu, Dongyan;  Cheng, Gang;  Zhang, Mengmeng;  Zhou, Yu-Bo;  Li, Jia   |  收藏  |  浏览/下载：28/0  |  提交时间：2021/05/24 PI3K alpha inhibitors  Virtual screening  2-(5-(quinolin-6-yl)-1,3,4 oxadiazol-2-yl)acetamide  Molecular dynamics   Identification of SARS-CoV-2 entry inhibitors among already approved drugs 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2020, 页码: 7 作者:  Yang, Li;  Pei, Rong-juan;  Li, Heng;  Ma, Xin-na;  Zhou, Yu   |  收藏  |  浏览/下载：57/0  |  提交时间：2020/12/24 COVID-19  SARS-CoV-2  virus entry inhibitors  high throughput screening assay  approved drug library  histamine receptor antagonists  clemastine   Ensemble docking-based virtual screening toward identifying inhibitors against Wee1 kinase 期刊论文  OAI收割 FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 15, 页码: 1889-1906 作者:  Li, Yaping;  Wu, Dong-mei;  Kong, Ling-mei;  Zhang, Shuqun;  Du, Haibo   |  收藏  |  浏览/下载：30/0  |  提交时间：2020/03/26 bioassay  ensemble docking  scoring function  virtual screening  Wee1 inhibitors   Identification of novel monoamine oxidase selective inhibitors employing a hierarchical ligand-based virtual screening strategy 期刊论文  OAI收割 FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 8, 页码: 801-816 作者:  Wang, Dong;  Li, Zhaoyang;  Liu, Yi;  Chen, Mo;  Chen, Nianhang   |  收藏  |  浏览/下载：53/0  |  提交时间：2019/09/10 BRS-3D  monoamine oxidase selective inhibitors  virtual screening