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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  
Small-Molecule Drugs in Immunotherapy 期刊论文
MINI-REVIEWS IN MEDICINAL CHEMISTRY, 2023, 卷号: 23, 期号: 13, 页码: 1341-1359
作者:  Hao,Xuanrun;  Chen,Zhongliang;  Li,Haining;  Wei,Minqin;  Zuo,Zhili;  Su,Qing
浏览  |  Adobe PDF(29350Kb)  |  收藏  |  浏览/下载：5/3  |  提交时间：2024/07/25
Cancer immunotherapy  inhibitors  Pd-1/Pd-L1 inhibitor  IDO inhibitor  STING agonists  ROR gamma t agonists  TGF  beta inhibitors  INDOLEAMINE 2,3-DIOXYGENASE  SIGNALING INHIBITOR  DENDRITIC CELLS  GROWTH  TUMOR  PATHWAY  PEMBROLIZUMAB  RECEPTORS  DISCOVERY  VADIMEZAN  
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  
Design and synthesis of novel artemisinin hybrids with potent activities against human colorectal cancer cells in vitro and in vivo (vol 182, 111665, 2019) 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020
作者:  Wang, Liang-Liang;  Kong, Lingmei;  Liu, Hui;  Zhang, Yunqin;  Zhang, Li;  Liu, Xingyong;  Yuan, Feng;  Li, Yan;  Zuo, Zhili
浏览  |  Adobe PDF(169Kb)  |  收藏  |  浏览/下载：142/36  |  提交时间：2021/01/05
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：132/33  |  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：197/27  |  提交时间：2021/01/05