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UniPR129 is a competitive small molecule Eph-ephrin antagonist blocking in vitro angiogenesis at low micromolar concentrations Eph antagonist and angiogenesis 期刊论文
出版物, 3111, 期号: 0, 页码: 1-32
作者:  I Hassan-Mohamed;  C Giorgio;  M Incerti;  S Russo;  D Pala;  E B Pasquale;  P Vicini;  E Barocelli;  S Rivara;  M Mor;  A Lodola;  M Tognolini
Adobe PDF(1403Kb)  |  收藏  |  浏览/下载：279/1  |  提交时间：2017/07/24
Eph Kinase  Ephrin  Small Molecules  Angiogenesis  Bile Acid  Lithocholic Acid  
Discovery of novel modulators targeting human TRPC5: Docking-based virtual screening, molecular dynamics simulation and binding af fi nity predication 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2021, 卷号: 102, 页码: 107795
作者:  Liu,Bin;  Zhang,Wei;  Guo,Sheng;  Zuo,Zhili
浏览  |  Adobe PDF(4277Kb)  |  收藏  |  浏览/下载：80/10  |  提交时间：2022/04/02
hTRPC5  Homology modeling  Molecular docking  Molecular dynamics simulation  Virtual screening  INHIBITOR  CHANNELS  GROMACS  POTENT  AMBER  IDENTIFICATION  CONSTRAINTS  INTEGRATION  AMYGDALA  
Which species does the virus like most: Binding modes study between SARS-CoV-2 S protein and ACE2 receptor 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2021, 卷号: 105, 页码: 107893
作者:  Guo,Sheng;  Yang,Jing;  Lei,Yu;  Liu,Bin;  Zhang,Wei;  Zhang,Li;  Zuo,Zhili
浏览  |  Adobe PDF(3681Kb)  |  收藏  |  浏览/下载：76/11  |  提交时间：2022/04/02
SARS-CoV-2  COVID-19  Homology modeling  Molecular dynamics simulation  Binding free energy  CORONAVIRUS SPIKE PROTEIN  ACTIVATION  GROMACS  ENTRY  
Discovery of potentially biased agonists of mu-opioid receptor (MOR) through molecular docking, pharmacophore modeling, and MD simulation 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2021, 卷号: 90, 页码: 107405
作者:  Jiang,Xuan;  Li,Shuxiang;  Zhang,Hongbin;  Wang,Liang-Liang
浏览  |  Adobe PDF(6441Kb)  |  收藏  |  浏览/下载：84/16  |  提交时间：2022/04/02
mu-Opioid receptors (MOR)  Biased ligands  Molecular docking  Hip-hop pharmacophore  MD simulation  
Computational simulation studies on the binding selectivity of Wee1 and Checkpoint kinase 1 by molecular dynamics simulation combined with free energy calculations 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020
作者:  Li, Yaping;  Liu, Xingyong;  Zhang, Shuqun;  Wang, Liangliang;  Zhang, Li;  Zuo, Zhili
浏览  |  Adobe PDF(2066Kb)  |  收藏  |  浏览/下载：168/22  |  提交时间：2021/01/05
Discovery of highly functionalized 5,6-seco-grayanane diterpenoids as potent competitive PTP1B inhibitors 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2020
作者:  Zhou, Junfei;  Zuo, Zhili;  Liu, Junjun;  Zhang, Hanqi;  Zheng, Guijuan;  Yao, Guangmin
浏览  |  Adobe PDF(1539Kb)  |  收藏  |  浏览/下载：122/25  |  提交时间：2021/01/05
Dalbavancin binds ACE2 to block its interaction with SARS-CoV-2 spike protein and is effective in inhibiting SARS-CoV-2 infection in animal models 期刊论文
CELL RESEARCH, 2020
作者:  Wang, Gan;  Yang, Meng-Li;  Duan, Zi-Lei;  Liu, Feng-Liang;  Jin, Lin;  Long, Cheng-Bo;  Zhang, Min;  Tang, Xiao-Peng;  Xu, Ling;  Li, Ying-Chang;  Kamau, Peter Muiruri;  Yang, Lian;  Liu, Hong-Qi;  Xu, Jing-Wen;  Chen, Jie-Kai;  Zheng, Yong-Tang;  Peng, Xiao-Zhong;  Lai, Ren
Adobe PDF(2926Kb)  |  收藏  |  浏览/下载：151/40  |  提交时间：2021/01/05
Canescones A-E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 18, 页码: 3274-3281
作者:  Zang, Yi;  Gong, Yi-Hua;  Li, Xu-Wen;  Li, Xiao-Nian;  Liu, Jun-Jun;  Chen, Chun-Mei;  Zhou, Yuan;  Gu, Liang-Hu;  Luo, Zeng-Wei;  Wang, Jian-Ping;  Sun, Wei-Guang;  Zhu, Hu-Cheng;  Zhang, Yong-Hui
浏览  |  Adobe PDF(2538Kb)  |  收藏  |  浏览/下载：189/44  |  提交时间：2019/10/28
Synergistic use of NMR computation and quantitative interproton distance analysis in the structural determination of neokadcoccitane A, a rearranged triterpenoid featuring an aromatic ring D from Kadsura coccinea 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 10, 页码: 1619-1626
作者:  Xu, Hou-Chao;  Hu, Kun;  Shi, Xiao-Huo;  Tang, Jian-Wei;  Li, Xiao-Nian;  Sun, Han-Dong;  Puno, Pema-Tenzin
Adobe PDF(762Kb)  |  收藏  |  浏览/下载：185/41  |  提交时间：2019/07/29
Ganolearic Acid A, a Hexanorlanostane Triterpenoid with a 3/5/6/5-Fused Tetracyclic Skeleton from Ganoderma cochlear 期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2018, 卷号: 83, 期号: 21, 页码: 13178-13183
作者:  Peng, Xing-Rong;  Huang, Yan-Jie;  Lu, Shuang-Yang;  Yang, Jing;  Qiu, Ming-Hua
Adobe PDF(319Kb)  |  收藏  |  浏览/下载：518/155  |  提交时间：2018/12/18