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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
Authors:  Weng, Zhiying;  Xu, Guowei;  Chen, Dingyuan;  Yang, Yaqing;  Song, Gao;  Shen, Wen;  Zhang, Shuqun;  Wang, LiangLiang;  Yang, Weimin;  Zuo, Zhili
Favorite  |  View/Download:52/0  |  Submit date:2020/03/18
Adenylyl cyclases  Homology modeling  Consensus scoring  Molecular dynamics simulation  Virtual screening  Biological evaluation  
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
Authors:  Pan, Chenling;  Meng, Hao;  Zhang, Shuqun;  Zuo, Zhili;  Shen, Yuehai;  Wang, Liangliang;  Chang, Kwen-Jen
View  |  Adobe PDF(1542Kb)  |  Favorite  |  View/Download:41/12  |  Submit date: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
Authors:  Li, Yaping;  Wu, Dong-mei;  Kong, Ling-mei;  Zhang, Shuqun;  Du, Haibo;  Sun, Wei;  Zhang, Li;  Li, Yan;  Zuo, Zhili
Favorite  |  View/Download:32/0  |  Submit date: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
Authors:  Zhang, Yunqin;  Xu, Guowei;  Zhang, Shuqun;  Wang, Dong;  Saravana Prabha, P;  Zuo, Zhili
Favorite  |  View/Download:30/0  |  Submit date: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
Authors:  Zhang, Shuqun;  Lin, Zichun;  Pu, Yinglan;  Zhang, Yunqin;  Zhang, Li;  Zuo, Zhili
View  |  Adobe PDF(1591Kb)  |  Favorite  |  View/Download:223/36  |  Submit date: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
Authors:  Pu, Yinglan;  Zhang, Shuqun;  Chang, Zhe;  Zhang, Yunqin;  Wang, Dong;  Zhang, Li;  Li, Yan;  Zuo, Zhili
View  |  Adobe PDF(972Kb)  |  Favorite  |  View/Download:569/87  |  Submit date:2017/05/19
Design and prediction of new acetylcholinesterase inhibitor via quantitative structure activity relationship of huprines derivatives 期刊论文
ARCHIVES OF PHARMACAL RESEARCH, 2016, 卷号: 39, 期号: 5, 页码: 591-602
Authors:  Zhang, Shuqun;  Hou, Bo;  Yang, Huaiyu;  Zuo, Zhili
View  |  Adobe PDF(1125Kb)  |  Favorite  |  View/Download:157/56  |  Submit date:2016/08/22
Ache  Ad  Hqsar  Comfa  Comsia  Huprines Inhibitors  
The discovery of new acetylcholinesterase inhibitors derived from pharmacophore modeling, virtual screening, docking simulation and bioassays 期刊论文
MOLECULAR BIOSYSTEMS, 2016, 卷号: 12, 期号: 12, 页码: 3734-3742
Authors:  Zhang, Yunqin;  Zhang, Shuqun;  Xu, Guowei;  Yan, Hui;  Pua, Yinglan;  Zuo, Zhili
View  |  Adobe PDF(1699Kb)  |  Favorite  |  View/Download:90/24  |  Submit date:2017/02/14
Assignment of aromaticity of the classic heterobenzenes by three aromatic criteria 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2014, 卷号: 1046, 页码: 20-24
Authors:  Hou, Bo;  Yi, Pinggui;  Wang, Zhaoxu;  Zhang, Shuqun;  Zhao, Jinhua;  Mancera, Ricardo L.;  Cheng, Yongxian;  Zuo, Zhili;  Yi,PG (reprint author),Hunan Univ Sci & Technol,Minist Educ,Key Lab Theoret Chem & Mol Simulat,Xiangtan 411201,Peoples R China.;  zuozhili@mail.kib.ac.cn
Adobe PDF(847Kb)  |  Favorite  |  View/Download:268/28  |  Submit date:2014/11/25
Nics  Elf  Heterobenzenes  Global Aromaticity  Pi Aromaticity  Sigma Aromaticity