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KIB OpenIR
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Discovery of novel inhibitors against main protease (Mpro) of SARS-CoV-2 via virtual screening and biochemical evaluation 期刊论文
BIOORGANIC CHEMISTRY, 2021, 卷号: 110, 页码: 104767
作者:  Guo,Sheng;  Xie,Hang;  Lei,Yu;  Liu,Bin;  Zhang,Li;  Xu,Yechun;  Zuo,Zhili
浏览  |  Adobe PDF(3181Kb)  |  收藏  |  浏览/下载：109/34  |  提交时间：2022/04/02
SARS-CoV-2  Main protease  Virtual screening  Biochemical evaluation  
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：102/16  |  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：93/14  |  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  
Identification of Novel TRPC5 Inhibitors by Pharmacophore-Based and Structure-Based Approaches 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2020
作者:  Li, Shuxiang;  Zhang, Shuqun;  Chen, Dingyuan;  Jiang, Xuan;  Liu, Bin;  Zhang, Hongbin;  Rachakunta, Munikishore;  Zuo, Zhili
浏览  |  Adobe PDF(4261Kb)  |  收藏  |  浏览/下载：157/42  |  提交时间：2021/01/05
Ensemble-based virtual screening in discovering potent inhibitors targeting Von Hippel-Lindau (VHL) E3 ubiquitin ligase 期刊论文
LIFE SCIENCES, 2020
作者:  Liu, Yi;  Lei, Yu;  Guo, Sheng;  Zuo, Zhili
浏览  |  Adobe PDF(9965Kb)  |  收藏  |  浏览/下载：103/24  |  提交时间：2021/01/05
Design, synthesis and biological evaluation of novel copper-chelating acetylcholinesterase inhibitors with pyridine and N-benzylpiperidine fragments 期刊论文
BIOORGANIC CHEMISTRY, 2019, 卷号: 93, 页码: 13
作者:  Zhou, Yeheng;  Sun, Wei;  Peng, Jiale;  Yan, Hui;  Zhang, Li;  Liu, Xingyong;  Zuo, Zhili
浏览  |  Adobe PDF(4739Kb)  |  收藏  |  浏览/下载：214/34  |  提交时间：2020/03/18
Acetylcholinesterase  Drug design  N-acylhydrazone  Dementia  Copper-chelating  N-Benzylpiperidine  
Discovery of novel indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors by virtual screening 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 78, 页码: 306-316
作者:  Zhou, Yeheng;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Li, Yingying;  Zhang, Li;  Sun, Wei;  Liu, Xingyong;  Zuo, Zhili
浏览  |  Adobe PDF(2732Kb)  |  收藏  |  浏览/下载：272/45  |  提交时间：2019/03/25
IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS  
Structure-Activity Relationship of Xanthones as Inhibitors of Xanthine Oxidase 期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 2, 页码: 365
作者:  Zhou, Ling-Yun;  Peng, Jia-Le;  Wang, Jun-Ming;  Geng, Yuan-Yuan;  Zuo, Zhi-Li;  Hua, Yan
浏览  |  Adobe PDF(2334Kb)  |  收藏  |  浏览/下载：233/47  |  提交时间：2018/05/08
Xanthone  Xanthine Oxidase Inhibitors  3d-qsar  Gout  
Discovery of new dual binding TNKS inhibitors of Wnt signaling inhibition by pharmacophore modeling, molecular docking and bioassay 期刊论文
MOLECULAR BIOSYSTEMS, 2017, 卷号: 13, 期号: 2, 页码: 363-370
作者:  Pu, Yinglan;  Zhang, Shuqun;  Chang, Zhe;  Zhang, Yunqin;  Wang, Dong;  Zhang, Li;  Li, Yan;  Zuo, Zhili
浏览  |  Adobe PDF(972Kb)  |  收藏  |  浏览/下载：719/142  |  提交时间：2017/05/19
Identification and validation of p50 as the cellular target of eriocalyxin B 期刊论文
ONCOTARGET, 2014, 卷号: 5, 期号: 22, 页码: 11354-11364
作者:  Kong, Ling-Mei;  Deng, Xu;  Zuo, Zhi-Li;  Sun, Han-Dong;  Zhao, Qin-Shi;  Li, Yan
浏览  |  Adobe PDF(3014Kb)  |  收藏  |  浏览/下载：302/80  |  提交时间：2015/06/17
Erib  Activity-based Probes  P50  Nf-kappa b Signaling  Apoptosis