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Discovery of potent LRRK2 inhibitors by ensemble virtual screening strategy and bioactivity evaluation Journal article
Gong, Xiaoqing, Li, Shuli, Huang, Junli, Tan, Shuoyan, Zhang, Qianqian, Tian, Yanan, Li, Qin, Wang, Lingling, Tong, Henry H.Y., Yao, Xiaojun, Chen, Chunxia, Lee, Simon Ming Yuen, Liu, Huanxiang. Discovery of potent LRRK2 inhibitors by ensemble virtual screening strategy and bioactivity evaluation[J]. European Journal of Medicinal Chemistry, 2024, 279, 116812.
Authors:  Gong, Xiaoqing;  Li, Shuli;  Huang, Junli;  Tan, Shuoyan;  Zhang, Qianqian; et al.
Favorite | TC[WOS]:0 TC[Scopus]:0  IF:6.0/6.1 | Submit date：2024/10/10
Fingerprint  Lrrk2  Molecular Docking  Pharmacophore  Virtual Screening  Zebrafish  
Artificial intelligence-aided discovery of prolyl hydroxylase 2 inhibitors to stabilize hypoxia inducible factor-1α and promote angiogenesis Journal article
Jianzhong Zhu, Cheng Chen, Jie Dong, Shasha Cheng, Guodong Li, Chunming Wang, Defang Ouyang, Chung-Hang Leung, Ligen Lin. Artificial intelligence-aided discovery of prolyl hydroxylase 2 inhibitors to stabilize hypoxia inducible factor-1α and promote angiogenesis[J]. Chinese Chemical Letters, 2023, 34(2), 107514.
Authors:  Jianzhong Zhu;  Cheng Chen;  Jie Dong;  Shasha Cheng;  Guodong Li; et al.
Favorite | TC[WOS]:3 TC[Scopus]:5  IF:9.4/7.3 | Submit date：2023/02/22
Machine Learning  Virtual Screening  Phd2  Angiogenesis  Wound Healing  
Structure-Based Discovery and Biological Assays of a Novel PRMT5 Inhibitor for Non-Small Cell Lung Cancer Journal article
Chen, Yingqing, Zhang, Mingyu, Wu, Anxin, Yao, Xiaojun, Wang, Qianqian. Structure-Based Discovery and Biological Assays of a Novel PRMT5 Inhibitor for Non-Small Cell Lung Cancer[J]. Molecules, 2022, 27(21).
Authors:  Chen, Yingqing;  Zhang, Mingyu;  Wu, Anxin;  Yao, Xiaojun;  Wang, Qianqian
Favorite | TC[WOS]:4 TC[Scopus]:5  IF:4.2/4.6 | Submit date：2023/01/31
3039-0164  Molecular Docking  Non-small Cell Lung Cancer  Prmt5  Structure-based Virtual Screening  
Ubiquitination Regulators Discovered by Virtual Screening for the Treatment of Cancer Review article
2021
Authors:  Song, Ying Qi;  Wu, Chun;  Wu, Ke Jia;  Han, Quan Bin;  Miao, Xiang Min; et al.
Favorite | TC[WOS]:5 TC[Scopus]:5  IF:4.6/5.2 | Submit date：2021/12/07
Ubiquitination Regulator  Virtual Screening  Drug Discovery  Cancer  Treatment  
A 7-methoxybicoumarin derivative selectively inhibits BRD4 BD2 for anti-melanoma therapy Journal article
Yang,Guan Jun, Wang,Wanhe, Lei,Pui Man, Leung,Chung Hang, Ma,Dik Lung. A 7-methoxybicoumarin derivative selectively inhibits BRD4 BD2 for anti-melanoma therapy[J]. International Journal of Biological Macromolecules, 2020, 164, 3204-3220.
Authors:  Yang,Guan Jun;  Wang,Wanhe;  Lei,Pui Man;  Leung,Chung Hang;  Ma,Dik Lung
Favorite | TC[WOS]:26 TC[Scopus]:26  IF:7.7/7.7 | Submit date：2021/03/01
Brd4  BromoDomain Domain  Cell Metastasis And Invasion  Histone Acetylation  Melanoma  Protein–protein Interaction  Virtual Screening  
Mimicking strategy for protein-protein interaction inhibitor discovery by virtual screening Review article
2019
Authors:  Wu,Ke Jia;  Lei,Pui Man;  Liu,Hao;  Wu,Chun;  Leung,Chung Hang; et al.
Favorite | TC[WOS]:17 TC[Scopus]:23  IF:4.2/4.6 | Submit date：2021/03/01
Protein-protein Interactions  Virtual Screening  Mimetics  Drug Discovery  
Emerging Screening Approaches in the Development of Nrf2-Keap1 Protein-Protein Interaction Inhibitors Review article
2019
Authors:  Leung, CH;  Zhang, JT;  Yang, GJ;  Liu, H;  Han, QB; et al.
Favorite | TC[WOS]:42 TC[Scopus]:45 | Submit date：2020/03/23
Virtual Screening  Keap1-nrf2  Protein-protein Interaction  Inhibitors  Oxidative Stress  
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
Yang, GJ, Ko, CN, Zhong, HJ, Leung, CH, Ma, DL. 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[J]. CANCERS, 2019, 11(1).
Authors:  Yang, GJ;  Ko, CN;  Zhong, HJ;  Leung, CH;  Ma, DL
Favorite | TC[WOS]:54 TC[Scopus]:61  IF:4.5/4.9 | Submit date：2020/03/24
Cell Cycle Arrest  Kdm5a  Jumonji Domain  Histone Demethylation  Protein-protein Interaction  Virtual Screening  Breast Cancer  Cell Senescence  
Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening Journal article
Tai, Hio Kuan, Jusoh, Siti Azma, Siu, Shirley W. I.. Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening[J]. JOURNAL OF CHEMINFORMATICS, 2018, 10.
Authors:  Tai, Hio Kuan;  Jusoh, Siti Azma;  Siu, Shirley W. I.
Favorite | TC[WOS]:20 TC[Scopus]:22  IF:7.1/9.3 | 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
Shaikh, Faraz, He, Jiang, Bhadra, Pratiti, Chen, Xin, Siu, Shirley W., I. 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[J]. FRONTIERS IN IMMUNOLOGY, 2018, 9.
Authors:  Shaikh, Faraz;  He, Jiang;  Bhadra, Pratiti;  Chen, Xin;  Siu, Shirley W., I
Favorite | TC[WOS]:16 TC[Scopus]:19  IF:5.7/6.8 | Submit date：2018/10/30
Tnf Receptor Type Ii  Tnf  Regulatory t Cells  Virtual Screening  Drug Discovery  Mm-pbsa