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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：16/7  |  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：25/5  |  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  
An efficient and concise synthesis of a selective small molecule non-peptide inhibitor of cathepsin L: KGP94 期刊论文
BIOORGANIC CHEMISTRY, 2021, 卷号: 116, 页码: 105317
作者:  Munikishore,Rachakunta;  Wang,Liang-Liang;  Zhang,Shuqun;  Zhao,Qin-Shi;  Zuo,Zhili
浏览  |  Adobe PDF(523Kb)  |  收藏  |  浏览/下载：100/28  |  提交时间：2022/04/02
Cathepsin L  small-molecule inhibitor  gram-scale synthesis  KGP94  cancer  FUNCTIONALIZED BENZOPHENONE  BIOLOGICAL EVALUATION  TUMOR PROGRESSION  CELL INVASION  EXPRESSION  ANALOGS  SUPPRESSION  DERIVATIVES  ACID  
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：171/46  |  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：229/32  |  提交时间：2021/01/05
Homology modeling and 3D-QSAR study of benzhydrylpiperazine delta opioid receptor agonists 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 83, 页码: 9
作者:  Pan, Chenling;  Meng, Hao;  Zhang, Shuqun;  Zuo, Zhili;  Shen, Yuehai;  Wang, Liangliang;  Chang, Kwen-Jen
浏览  |  Adobe PDF(1542Kb)  |  收藏  |  浏览/下载：336/84  |  提交时间：2020/03/18
delta opioid receptor agonists  3D-QSAR  Homology modeling  Molecular dynamics simulation  Molecular docking  
Ensemble docking-based virtual screening toward identifying inhibitors against Wee1 kinase 期刊论文
FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 15, 页码: 1889-1906
作者:  Li, Yaping;  Wu, Dong-mei;  Kong, Ling-mei;  Zhang, Shuqun;  Du, Haibo;  Sun, Wei;  Zhang, Li;  Li, Yan;  Zuo, Zhili
收藏  |  浏览/下载：177/0  |  提交时间：2020/03/26
bioassay  ensemble docking  scoring function  virtual screening  Wee1 inhibitors  
苯并噻唑类及苯并吡咯类化合物在制备抗肿瘤药物中的应用 专利
申请日期: 2018-06-28, 公开日期: 2018-10-16
发明人:  左之利;  李雅萍;  张树群;  刘兴勇;  李艳;  张利
收藏  |  浏览/下载：160/0  |  提交时间：2019/08/14
青蒿素-苯胺基喹唑啉类衍生物及其制备方法和应用 专利
申请日期: 2018-05-16, 公开日期: 2018-09-04
发明人:  左之利;  张树群;  刘辉;  李艳;  张云琴;  汪亮亮
收藏  |  浏览/下载：145/0  |  提交时间：2019/08/14