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浏览/检索结果: 共115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题名升序题名降序作者升序作者降序发表日期升序发表日期降序 Application of ensemble learning for predicting GABAA receptor agonists 期刊论文  OAI收割 COMPUTERS IN BIOLOGY AND MEDICINE, 2024, 卷号: 169, 页码: 13 作者:  Xiao, Fu;  Ding, Xiaoyu;  Shi, Yan;  Wang, Dingyan;  Wang, Yitian   |  收藏  |  浏览/下载：16/0  |  提交时间：2024/03/25 GABA(A )receptor  Benzodiazepine  Agonist  Machine learning  Classification   Benzothiozinone derivatives with anti-tubercular Activity-Further side chain investigation 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 264, 页码: 11 作者:     |  收藏  |  浏览/下载：9/0  |  提交时间：2024/01/26 Anti -tubercular activity  DprE1 inhibitor  Benzothiazinone derivatives  Structure activity relationship   Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR & gamma; antagonists 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2023, 卷号: 257, 页码: 15 作者:  Mei, Lianghe;  Xu, Lansong;  Wu, Sanan;  Wang, Yafang;  Xu, Chao   |  收藏  |  浏览/下载：40/0  |  提交时间：2023/10/17 Betulinic acid  ROR & gamma  Target identification  Rationale structure optimization  Anti-tumor effects  antagonists   Discovery of 1,5-Dihydro-4H-imidazol-4-one Derivatives as Potent, Selective Antagonists of CXC Chemokine Receptor 2 期刊论文  OAI收割 ACS MEDICINAL CHEMISTRY LETTERS, 2021, 卷号: 12, 期号: 5, 页码: 836-845 作者:  Che, Jinxin;  Wang, Zhilong;  Shen, Zheyuan;  Zhuang, Weihao;  Ying, Huazhou   |  收藏  |  浏览/下载：18/0  |  提交时间：2021/08/17 cancer metastasis  CXCR1  CXCR2  selectivity  antagonist  1,5-dihydro-4H-imidazol-4-one   Discovery of potentially biased agonists of mu-opioid receptor (MOR) through molecular docking, pharmacophore modeling, and MD simulation 期刊论文  OAI收割 COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2021, 卷号: 90, 页码: 107405 作者:  Jiang,Xuan;  Li,Shuxiang;  Zhang,Hongbin;  Wang,Liang-Liang   |  收藏  |  浏览/下载：13/0  |  提交时间：2022/04/02 mu-Opioid receptors (MOR)  Biased ligands  Molecular docking  Hip-hop pharmacophore  MD simulation   Pharmacophore-Based Virtual Screening Toward the Discovery of Novel Anti-echinococcal Compounds 期刊论文  OAI收割 FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY, 2020, 卷号: 10, 页码: 12 作者:  Liu, Congshan;  Yin, Jianhai;  Yao, Jiaqing;  Xu, Zhijian;  Tao, Yi   |  收藏  |  浏览/下载：32/0  |  提交时间：2020/07/01 echinococcosis  Echinococcus multilocularis  pharmacophore modeling  virtual screenings  in vitro drug screen  cytotoxicity  E  multilocularis-infected mice  pharmacokinetics analysis   Combining an in silico approach with an animal experiment to investigate the protective effect of troxerutin for treating acute lung injury 期刊论文  OAI收割 BMC COMPLEMENTARY AND ALTERNATIVE MEDICINE, 2019, 卷号: 19, 页码: 11 作者:  Li, Ying;  Ma, Pan;  Fu, Jin;  Wu, Jingjing;  Wu, Xue   |  收藏  |  浏览/下载：58/0  |  提交时间：2019/12/02 Troxerutin  In silico prediction  Acute lung injury  Protective effect  Inflammatory response   Discovery of new multifunctional selective acetylcholinesterase inhibitors: structure-based virtual screening and biological evaluation 期刊论文  OAI收割 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2019, 卷号: 33, 期号: 5, 页码: 521-530 作者:  Jiang, Cheng-Shi;  Ge, Yong-Xi;  Cheng, Zhi-Qiang;  Song, Jia-Li;  Wang, Yin-Yin   |  收藏  |  浏览/下载：24/0  |  提交时间：2020/07/01 AChE inhibitor  Pharmacophore model  Molecular docking  Anti-A aggregation  Neuroprotective activity   Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study 期刊论文  OAI收割 COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176 作者:  Li, Yingying;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping   |  收藏  |  浏览/下载：65/0  |  提交时间：2019/07/29 Pharmacophore modeling  Molecular docking  Quantitative structure activity relationship (QSAR)  Molecular dynamics  AMPK  Activator   Discovery of novel indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors by virtual screening 期刊论文  OAI收割 COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 78, 页码: 306-316 作者:  Zhou, Yeheng;  Peng, Jiale;  Li, Penghua;  Du, Haibo   |  收藏  |  浏览/下载：57/0  |  提交时间：2019/03/25 IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS