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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：11/5  |  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：7/3  |  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：15/4  |  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：4/1  |  提交时间：2024/07/31
NAFLD  PPAR alpha agonist  virtual screening  biochemical evaluation  FATTY-ACID OXIDATION  GROMACS  
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：193/0  |  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：157/42  |  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：133/33  |  提交时间：2021/01/05
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：199/28  |  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：141/34  |  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：104/25  |  提交时间：2021/01/05