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The novel benzimidazole derivative BRP-7 inhibits leukotriene biosynthesis in vitro and in vivo by targeting 5-lipoxygenase-activating protein (FLAP)1 期刊论文
出版物, 3111, 期号: 0, 页码: 1-42
Authors:  C Pergola;  J Gerstmeier;  B Monch;  B Çaliskan;  S Luderer;  C Weinige;  D Barz;  J Maczewsky;  S Pace;  A Rossi;  L Sautebin;  E Banoglu;  O Werz
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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
Authors:  Guo,Sheng;  Xie,Hang;  Lei,Yu;  Liu,Bin;  Zhang,Li;  Xu,Yechun;  Zuo,Zhili
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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
Authors:  Liu,Bin;  Zhang,Wei;  Guo,Sheng;  Zuo,Zhili
View  |  Adobe PDF(4277Kb)  |  Favorite  |  View/Download：23/0  |  Submit date：2022/04/02
hTRPC5  Homology modeling  Molecular docking  Molecular dynamics simulation  Virtual screening  INHIBITOR  CHANNELS  GROMACS  POTENT  AMBER  IDENTIFICATION  CONSTRAINTS  INTEGRATION  AMYGDALA  
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
Authors:  Jiang,Xuan;  Li,Shuxiang;  Zhang,Hongbin;  Wang,Liang-Liang
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mu-Opioid receptors (MOR)  Biased ligands  Molecular docking  Hip-hop pharmacophore  MD simulation  
Parthenolide inhibits ubiquitin-specific peptidase 7 (USP7), Wnt signaling, and colorectal cancer cell growth 期刊论文
JOURNAL OF BIOLOGICAL CHEMISTRY, 2020
Authors:  Li, Xue;  Kong, Lingmei;  Yang, Qihong;  Duan, Aizhu;  Ju, Xiaoman;  Cai, Bicheng;  Chen, Lin;  An, Tao;  Li, Yan
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Characterization of Streptomyces piniterrae sp. nov. and Identification of the Putative Gene Cluster Encoding the Biosynthesis of Heliquinomycins 期刊论文
MICROORGANISMS, 2020
Authors:  Zhuang, Xiaoxin;  Wang, Zhiyan;  Peng, Chenghui;  Su, Can;  Gao, Congting;  Wang, Yongjiang;  Huang, Shengxiong;  Liu, Chongxi
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Identification of novel phytocannabinoids from Ganoderma by label-free dynamic mass redistribution assay 期刊论文
JOURNAL OF ETHNOPHARMACOLOGY, 2020
Authors:  Zhou, Han;  Peng, Xingrong;  Hou, Tao;  Zhao, Nan;  Qiu, Minghua;  Zhang, Xiuli;  Liang, Xinmiao
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Identification of Novel TRPC5 Inhibitors by Pharmacophore-Based and Structure-Based Approaches 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2020
Authors:  Li, Shuxiang;  Zhang, Shuqun;  Chen, Dingyuan;  Jiang, Xuan;  Liu, Bin;  Zhang, Hongbin;  Rachakunta, Munikishore;  Zuo, Zhili
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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
Authors:  Li, Yaping;  Liu, Xingyong;  Zhang, Shuqun;  Wang, Liangliang;  Zhang, Li;  Zuo, Zhili
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Discovery of highly functionalized 5,6-seco-grayanane diterpenoids as potent competitive PTP1B inhibitors 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2020
Authors:  Zhou, Junfei;  Zuo, Zhili;  Liu, Junjun;  Zhang, Hanqi;  Zheng, Guijuan;  Yao, Guangmin
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