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Aurone derivatives as Vps34 inhibitors that modulate autophagy Journal article
ACTA PHARMACEUTICA SINICA B, 2019,Volume: 9,Issue: 3,Page: 537-544
Authors:  Guodong Li;  Joshua William Boyle;  Chung-Nga Ko;  Wu Zeng;  Vincent Kam Wai Wong;  Jian-Bo Wan;  Philip Wai Hong Chan;  Dik-Lung Ma;  Chung-Hang Leung
Favorite | View/Download:14/0 | TC[WOS]:2 TC[Scopus]:0 | Submit date:2020/03/24
Autophagy  Natural Products  Vps34  Inhibitor  Structure-based Virtualscreening  Vesicle Trafficking  Heart Or Liver Damage  Aurone Derivative  
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:13/0 | TC[WOS]:7 TC[Scopus]: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:11/0 | TC[WOS]:3 TC[Scopus]: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:17/0 | TC[WOS]:0 TC[Scopus]:0 | Submit date:2019/01/17
Docking  Virtual screening  PSOVina  Autodock Vina  Chaotic maps  Singer map  Sinusoidal map  
Andrographolide derivative as STAT3 inhibitor that protects acute liver damage in mice Journal article
BIOORGANIC & MEDICINAL CHEMISTRY, 2018,Volume: 26,Issue: 18,Page: 5053-5061
Authors:  Chen, Shao-Ru;  Li, Feng;  Ding, Mo-Yu;  Wang, Decai;  Zhao, Qi;  Wang, Yitao;  Zhou, Guo-Chun;  Wang, Ying
View | Adobe PDF | Favorite | View/Download:1099/77 | TC[WOS]:3 TC[Scopus]:0 | Submit date:2018/10/30
Andrographolide  Stat3 Inhibitor  Acute Liver Damage  Inflammation  
ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database Journal article
JOURNAL OF CHEMINFORMATICS, 2018,Volume: 10
Authors:  Dong, Jie;  Wang, Ning-Ning;  Yao, Zhi-Jiang;  Zhang, Lin;  Cheng, Yan;  Ouyang, Defang;  Lu, Ai-Ping;  Cao, Dong-Sheng
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Admetlab  Admet  Drug-likeness  Admet Database  Drug Discovery  Cheminformatics  
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:29/0 | TC[WOS]:3 TC[Scopus]: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:10/0 | TC[WOS]:3 TC[Scopus]: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:31/0 | TC[WOS]:18 TC[Scopus]:0 | Submit date:2018/10/30
Enzymes  Natural Products  Pin1  Protein-protein Interactions  Virtual Screening  
Modeling analysis of potential target of dolastatin 16 by computational virtual screening Journal article
Chemical and Pharmaceutical Bulletin, 2018,Volume: 66,Issue: 6,Page: 602-607
Authors:  Liang T.-T.;  Zhao Q.;  He S.;  Mu F.-Z.;  Deng W.;  Han B.-N.
Favorite | View/Download:8/0 | TC[WOS]:3 TC[Scopus]:0 | Submit date:2019/01/16
Dolastatin 16  Fkbp1a  Molecular Docking  Pharmmapper