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Structure-Based Discovery of a Selective KDM5A Inhibitor that Exhibits Anti-Cancer Activity via Inducing Cell Cycle Arrest and Senescence in Breast Cancer Cell Lines Journal article
CANCERS, 2019,Volume: 11,Issue: 1
Authors:  Yang, GJ;  Ko, CN;  Zhong, HJ;  Leung, CH;  Ma, DL
Favorite  |  View/Download:7/0  |  Submit date:2020/03/24
Cell Cycle Arrest  Kdm5a  Jumonji Domain  Histone Demethylation  Protein-protein Interaction  Virtual Screening  Breast Cancer  Cell Senescence  
Emerging Screening Approaches in the Development of Nrf2-Keap1 Protein-Protein Interaction Inhibitors Journal article
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019,Volume: 20,Issue: 18
Authors:  Leung, CH;  Zhang, JT;  Yang, GJ;  Liu, H;  Han, QB;  Ma, DL
Favorite  |  View/Download:5/0  |  Submit date:2020/03/23
Virtual Screening  Keap1-nrf2  Protein-protein Interaction  Inhibitors  Oxidative Stress  
Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening Journal article
JOURNAL OF CHEMINFORMATICS, 2018,Volume: 10
Authors:  Tai, Hio Kuan;  Jusoh, Siti Azma;  Siu, Shirley W. I.
Favorite  |  View/Download:12/0  |  Submit date:2019/01/17
Docking  Virtual screening  PSOVina  Autodock Vina  Chaotic maps  Singer map  Sinusoidal map  
TNF receptor type II as an emerging drug target for the treatment of cancer, autoimmune diseases, and graft-versus-host disease: Current perspectives and in silico search for small molecule binders Journal article
Frontiers in Immunology, 2018,Volume: 9,Issue: JUN
Authors:  Shaikh F.;  He J.;  Bhadra P.;  Chen X.;  Siu S.W.
Favorite  |  View/Download:7/0  |  Submit date:2019/04/04
Drug discovery  MM-PBSA  Regulatory T cells  TNF  TNF receptor type II  Virtual screening  
Identification of novel natural compound inhibitors for human complement component 5a receptor by homology modeling and virtual screening Journal article
Medicinal Chemistry Research, 2016,Volume: 25,Issue: 8,Page: 1564-1573
Authors:  Shaikh F.;  Siu S.W.I.
Favorite  |  View/Download:3/0  |  Submit date:2019/04/04
C5aR  Homology modeling  MM-GBSA  Molecular docking  Natural compound inhibitor  Virtual screening  
Discovery of a small-molecule inhibitor of STAT3 by ligand-based pharmacophore screening Journal article
Methods, 2015,Volume: 71,Issue: C,Page: 38-43
Authors:  Leung K.-H.;  Liu L.-J.;  Lin S.;  Lu L.;  Zhong H.-J.;  Susanti D.;  Rao W.;  Wang M.;  Che W.I.;  Chan D.S.H.;  Leung C.-H.;  Chan P.W.H.;  Ma D.-L.
Favorite  |  View/Download:4/0  |  Submit date:2018/11/06
Pharmacophore  Protein-protein interaction  STAT3  Virtual screening  
In silico identification of natural product inhibitors of JAK2 Journal article
Methods, 2015,Volume: 71,Issue: C,Page: 21-25
Authors:  Zhong H.-J.;  Lin S.;  Tam I.L.;  Lu L.;  Chan D.S.-H.;  Ma D.-L.;  Leung C.-H.
Favorite  |  View/Download:3/0  |  Submit date:2018/11/06
6-Chloroemodic acid  Emodic acid  JAK2  Natural product  Virtual screening  
Pharmacophore modeling for the identification of small-molecule inhibitors of TACE Journal article
Methods, 2015,Volume: 71,Issue: C,Page: 92-97
Authors:  Liu L.-J.;  Leung K.-H.;  Lin S.;  Chan D.S.-H.;  Susanti D.;  Rao W.;  Chan P.W.H.;  Ma D.-L.;  Leung C.-H.
Favorite  |  View/Download:5/0  |  Submit date:2018/11/06
Inhibitor  Pharmacophore  TACE  Tumor necrosis factor  Virtual screening  
Recent advances in structure-based drug design and virtual screening of VEGFR tyrosine kinase inhibitors Journal article
Methods, 2015,Volume: 71,Issue: C,Page: 85-91
Authors:  Pui Man Hoi;  Shang Li;  Chi Teng Vong;  Hisa Hui Ling Tseng;  Yiu Wa Kwan;  Simon Ming-Yuen Lee
Favorite  |  View/Download:16/0  |  Submit date:2018/11/06
Molecular Docking  Pharmacophore Modeling  Vegfr2  Vegfr2 Inhibitors  Virtual Screening  
Structure-based repurposing of FDA-approved drugs as inhibitors of NEDD8-activating enzyme Journal article
Biochimie, 2014,Volume: 102,Issue: 1,Page: 211-215
Authors:  Zhong H.-J.;  Liu L.-J.;  Chan D.S.-H.;  Wang H.-M.;  Chan P.W.H.;  Ma D.-L.;  Leung C.-H.
Favorite  |  View/Download:2/0  |  Submit date:2018/11/06
Inhibitor  NEDD8-activating enzyme  Repurposing  Structure-based  Virtual screening