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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：81/20  |  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：184/0  |  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：148/37  |  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：184/22  |  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：287/74  |  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：150/0  |  提交时间：2020/03/26
bioassay  ensemble docking  scoring function  virtual screening  Wee1 inhibitors  
Antitumor Research on Artemisinin and Its Bioactive Derivatives. 期刊论文
Natural products and bioprospecting, 2018, 卷号: 8, 期号: 4, 页码: 303-319
作者:  Zhang, Yunqin;  Xu, Guowei;  Zhang, Shuqun;  Wang, Dong;  Saravana Prabha, P;  Zuo, Zhili
收藏  |  浏览/下载：92/0  |  提交时间：2019/03/29
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 67, 期号: 1, 页码: 38-47
作者:  Zhang, Shuqun;  Lin, Zichun;  Pu, Yinglan;  Zhang, Yunqin;  Zhang, Li;  Zuo, Zhili
浏览  |  Adobe PDF(1591Kb)  |  收藏  |  浏览/下载：316/65  |  提交时间：2017/05/19
Bace1  Ad  Hqsar  Comfa  Comsia  
Discovery of new dual binding TNKS inhibitors of Wnt signaling inhibition by pharmacophore modeling, molecular docking and bioassay 期刊论文
MOLECULAR BIOSYSTEMS, 2017, 卷号: 13, 期号: 2, 页码: 363-370
作者:  Pu, Yinglan;  Zhang, Shuqun;  Chang, Zhe;  Zhang, Yunqin;  Wang, Dong;  Zhang, Li;  Li, Yan;  Zuo, Zhili
浏览  |  Adobe PDF(972Kb)  |  收藏  |  浏览/下载：695/120  |  提交时间：2017/05/19
Quebrachitol: Global Status and Basic Research. 期刊论文
Natural products and bioprospecting, 2017, 卷号: 7, 期号: 1, 页码: 113-122
作者:  Wang, Dong;  Zhang, Shuqun;  Chang, Zhe;  Kong, De-Xin;  Zuo, Zhili
收藏  |  浏览/下载：87/0  |  提交时间：2019/03/29