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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  
Identification of novel monoamine oxidase selective inhibitors employing a hierarchical ligand-based virtual screening strategy 期刊论文
FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 8, 页码: 801-816
作者:  Wang, Dong;  Li, Zhaoyang;  Liu, Yi;  Chen, Mo;  Chen, Nianhang;  Zuo, Zhili;  Kong, De-Xin
浏览  |  Adobe PDF(1462Kb)  |  收藏  |  浏览/下载：171/35  |  提交时间：2019/09/10
BRS-3D  monoamine oxidase selective inhibitors  virtual screening  
Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176
作者:  Li, Yingying;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Liu, Xingyong;  Zhang, Li;  Wang, Liang-Liang;  Zuo, Zhili
浏览  |  Adobe PDF(7335Kb)  |  收藏  |  浏览/下载：247/27  |  提交时间：2019/07/29
Pharmacophore modeling  Molecular docking  Quantitative structure activity relationship (QSAR)  Molecular dynamics  AMPK  Activator  
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  
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
作者:  Zhang, Shuqun;  Hou, Bo;  Yang, Huaiyu;  Zuo, Zhili
浏览  |  Adobe PDF(1125Kb)  |  收藏  |  浏览/下载：254/84  |  提交时间：2016/08/22
Ache  Ad  Hqsar  Comfa  Comsia  Huprines Inhibitors  
Asymmetric synthesis of common aza-tricyclic core of various alkaloids 期刊论文
TETRAHEDRON LETTERS, 2015, 卷号: 56, 期号: 40, 页码: 5460-5464
作者:  Ding,Ming;  Tong,Xiaogang;  Li,Dashan;  Liang,Kangjiang;  Zhou,Ankun;  Zuo,Zhili;  Xia,Chengfeng
浏览  |  Adobe PDF(761Kb)  |  收藏  |  浏览/下载：205/47  |  提交时间：2016/01/19
Alkaloid  Asymmetric  Cyclization  Natural Product  Synthesis  
Nonpeptide small molecules from the insect Aspongopus chinensis and their neural stem cell proliferation stimulating properties 期刊论文
RSC ADVANCES, 2015, 卷号: 5, 期号: 87, 页码: 70985-70991
作者:  Di, Lei;  Shi, Yan-Ni;  Yan, Yong-Ming;  Jiang, Li-Ping;  Hou, Bo;  Wang, Xin-Long;  Zuo, Zhi-Li;  Chen, Yong-Bin;  Yang, Cui-Ping;  Cheng, Yong-Xian
浏览  |  Adobe PDF(697Kb)  |  收藏  |  浏览/下载：313/127  |  提交时间：2016/01/19
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
作者:  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)  |  收藏  |  浏览/下载：382/61  |  提交时间：2014/11/25
Nics  Elf  Heterobenzenes  Global Aromaticity  Pi Aromaticity  Sigma Aromaticity