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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:6/0  |  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:3/0  |  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:11/0  |  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
Authors:  Shaikh, Faraz;  He, Jiang;  Bhadra, Pratiti;  Chen, Xin;  Siu, Shirley W., I
Favorite  |  View/Download:24/0  |  Submit date:2018/10/30
Tnf Receptor Type Ii  Tnf  Regulatory t Cells  Virtual Screening  Drug Discovery  Mm-pbsa  
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:6/0  |  Submit date:2019/04/04
Drug discovery  MM-PBSA  Regulatory T cells  TNF  TNF receptor type II  Virtual screening  
Small Molecule Pin1 Inhibitor Blocking NF-B Signaling in Prostate Cancer Cells Journal article
CHEMISTRY-AN ASIAN JOURNAL, 2018,Volume: 13,Issue: 3,Page: 275-279
Authors:  Wu, Ke-Jia;  Zhong, Hai-Jing;  Yang, Guanjun;  Wu, Chun;  Huang, Jie-Min;  Li, Guodong;  Ma, Dik-Lung;  Leung, Chung-Hang
Favorite  |  View/Download:26/0  |  Submit date:2018/10/30
Enzymes  Natural Products  Pin1  Protein-protein Interactions  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  
Recent Advances in the Discovery and Development of Protein-Protein Interaction Modulators by Virtual Screening Book
2015
Authors:  Ma D.-L.;  Liu L.-J.;  Lin S.;  Wang M.;  Chan D.S.-H.;  Leung C.-H.
Favorite  |  View/Download:3/0  |  Submit date:2018/11/06
Computer-aided drug discovery  Drug development  Molecular docking  Protein-protein interactions  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:2/0  |  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