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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:1/0  |  Submit date:2020/03/18
Adenylyl cyclases  Homology modeling  Consensus scoring  Molecular dynamics simulation  Virtual screening  Biological evaluation  
Design, synthesis and biological evaluation of novel copper-chelating acetylcholinesterase inhibitors with pyridine and N-benzylpiperidine fragments 期刊论文
BIOORGANIC CHEMISTRY, 2019, 卷号: 93, 页码: 13
Authors:  Zhou, Yeheng;  Sun, Wei;  Peng, Jiale;  Yan, Hui;  Zhang, Li;  Liu, Xingyong;  Zuo, Zhili
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Acetylcholinesterase  Drug design  N-acylhydrazone  Dementia  Copper-chelating  N-Benzylpiperidine  
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:2/0  |  Submit date:2020/03/18
delta opioid receptor agonists  3D-QSAR  Homology modeling  Molecular dynamics simulation  Molecular docking  
Design and synthesis of novel artemisinin derivatives with potent activities against colorectal cancer in vitro and in vivo 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 182, 页码: 10
Authors:  Wang, Liang-Liang;  Kong, Lingmei;  Liu, Hui;  Zhang, Yunqin;  Zhang, Li;  Liu, Xingyong;  Yuan, Feng;  Li, Yan;  Zuo, Zhili
Favorite  |  View/Download:12/0  |  Submit date:2020/03/02
Artemisinin  Quinazoline  Hybridization  Colorectal cancer  Chemotherapy  
Precise structures and anti-intrinsic tenase complex activity of three fucosylated glycosaminoglycans and their fragments 期刊论文
CARBOHYDRATE POLYMERS, 2019, 卷号: 224, 页码: 10
Authors:  Cai, Ying;  Yang, Wenjiao;  Li, Xiaomei;  Zhou, Lutan;  Wang, Zhongjuan;  Lin, Lisha;  Chen, Dingyuan;  Zhao, Longyan;  Li, Zhongkun;  Liu, Shubai;  Yin, Ronghua;  Zuo, Zhili;  Gao, Na;  Zhao, Jinhua
View  |  Adobe PDF(4714Kb)  |  Favorite  |  View/Download:62/0  |  Submit date:2019/10/28
Fucosylated glycosaminoglycan  Oligosaccharide  Chemical structure  iXase  
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:1/0  |  Submit date:2020/03/26
bioassay  ensemble docking  scoring function  virtual screening  Wee1 inhibitors  
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
Authors:  Wang, Dong;  Li, Zhaoyang;  Liu, Yi;  Chen, Mo;  Chen, Nianhang;  Zuo, Zhili;  Kong, De-Xin
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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
Authors:  Li, Yingying;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Liu, Xingyong;  Zhang, Li;  Wang, Liang-Liang;  Zuo, Zhili
View  |  Adobe PDF(7335Kb)  |  Favorite  |  View/Download:45/0  |  Submit date:2019/07/29
Pharmacophore modeling  Molecular docking  Quantitative structure activity relationship (QSAR)  Molecular dynamics  AMPK  Activator  
Discovery of novel indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors by virtual screening 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 78, 页码: 306-316
Authors:  Zhou, Yeheng;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Li, Yingying;  Zhang, Li;  Sun, Wei;  Liu, Xingyong;  Zuo, Zhili
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IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS  
2,3-二氢-4(1H)-喹唑啉酮类化合物及其药物组合物和其应用 专利
申请日期: 2019-01-08, 公开日期: 2019-03-29
Inventors:  左之利;  杨淬;  汪亮亮;  李朋华;  高俐
Favorite  |  View/Download:63/0  |  Submit date:2019/08/14