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Discovery of potential novel TRPC5 inhibitors by virtual screening and bioassay 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY, 2023, 卷号: 94, 页码: 117477
作者:  Shen,Meiling;  Li,Lingfeng;  Li,Yue;  Gu,Xi;  Bai,Longhui;  Xia,Chengfeng;  Xiong,Wenyong;  Zuo,Zhili
浏览  |  Adobe PDF(6089Kb)  |  收藏  |  浏览/下载：25/8  |  提交时间：2024/07/22
TRPC5  Inhibitors  Virtual screening  Ca 2+channel  CHANNELS  IDENTIFICATION  PERMEABILITY  CALCIUM  
Discovery of 2-(Methylcarbonylamino) thiazole as PDE4 inhibitors via virtual screening and biological evaluation 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023, 卷号: 124, 页码: 108567
作者:  Ma,Rui;  Song,Na;  Wang,Lveli;  Gu,Xi;  Xiong,Feng;  Zhang,Shuqun;  Zhang,Jie;  Yang,Weimin;  Zuo,Zhili
浏览  |  Adobe PDF(5778Kb)  |  收藏  |  浏览/下载：20/10  |  提交时间：2024/07/22
PHOSPHODIESTERASE-4 INHIBITOR  ACCURATE DOCKING  APREMILAST  EFFICACY  INSIGHTS  DISEASE  ASTHMA  POTENT  GLIDE  
Structurally modified Cyclovirobuxine-D Buxus alkaloids as effective analgesic agents through Cav3.2 T-Type calcium channel inhibition 期刊论文
BIOORGANIC CHEMISTRY, 2023, 卷号: 135, 页码: 106493
作者:  Munikishore,Rachakunta;  Liu,Rui;  Zhang,Shuqun;  Zhao,Qin-Shi;  Nian,Yin;  Zuo,Zhili
浏览  |  Adobe PDF(5035Kb)  |  收藏  |  浏览/下载：27/5  |  提交时间：2024/07/22
Buxus alkaloid  Structural modification  T -type calcium channel  Analgesic activity  Docking analysis  Structure -activity relationship study  BUXOZINE-C  SEMPERVIRENS  RING  CONSTITUTION  
Identification of 3H-benzo[b] [1,4] diazepine derivatives as PPARα agonists by in silico studies and biochemical evaluation 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023, 页码: 2256867
作者:  Li,Yue;  Lv,Mengjia;  Shen,Meiling;  Gu,Xi;  Zhang,Li;  Liu,Xingyong;  Chen,Jing;  Gong,Likun;  Zuo,Zhili
浏览  |  Adobe PDF(3338Kb)  |  收藏  |  浏览/下载：14/1  |  提交时间：2024/07/31
NAFLD  PPAR alpha agonist  virtual screening  biochemical evaluation  FATTY-ACID OXIDATION  GROMACS  
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：128/38  |  提交时间：2022/04/02
SARS-CoV-2  Main protease  Virtual screening  Biochemical evaluation  
Oligosaccharides from fucosylated glycosaminoglycan prevent breast cancer metastasis in mice by inhibiting heparanase activity and angiogenesis 期刊论文
PHARMACOLOGICAL RESEARCH, 2021, 卷号: 166, 页码: 105527
作者:  Zhou,Lutan;  Yin,Ronghua;  Gao,Na;  Sun,Huifang;  Chen,Dingyuan;  Cai,Ying;  Ren,Lin;  Yang,Lian;  Zuo,Zhili;  Zhang,Hongbin;  Zhao,Jinhua
浏览  |  Adobe PDF(8336Kb)  |  收藏  |  浏览/下载：175/20  |  提交时间：2022/04/02
Oligosaccharides  Heparanase  Angiogenesis  Metastasis  FIBROBLAST-GROWTH-FACTOR  TUMOR-GROWTH  SULFATE PROTEOGLYCANS  MAMMALIAN HEPARANASE  COMBINATION  MECHANISMS  DISCOVERY  BINDING  TARGET  PI-88  
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：114/19  |  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  
Discovery of a potent and selective adenylyl cyclase type 8 agonist by docking-based virtual screening 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2020, 卷号: 30, 期号: 2, 页码: 7
作者:  Weng, Zhiying;  Xu, Guowei;  Chen, Dingyuan;  Yang, Yaqing;  Song, Gao;  Shen, Wen;  Zhang, Shuqun;  Wang, LiangLiang;  Yang, Weimin;  Zuo, Zhili
收藏  |  浏览/下载：206/0  |  提交时间：2020/03/18
Adenylyl cyclases  Homology modeling  Consensus scoring  Molecular dynamics simulation  Virtual screening  Biological evaluation  
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：172/46  |  提交时间：2021/01/05
The discovery, design and synthesis of potent agonists of adenylyl cyclase type 2 by virtual screening combining biological evaluation 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020
作者:  Xu, Guowei;  Yang, Yaqing;  Yang, Yanming;  Song, Gao;  Li, Shanshan;  Zhang, Jiajun;  Yang, Weimin;  Wang, Liang-Liang;  Weng, Zhiying;  Zuo, Zhili
浏览  |  Adobe PDF(2526Kb)  |  收藏  |  浏览/下载：145/35  |  提交时间：2021/01/05