Faculty Profile, National Health Research Institutes, Taiwan

Faculty Profiles

Su-Ying Wu, Ph.D.

Institute of Biotechnology and Pharmaceutical Research


Ph.D., Structural Biochemistry, University of Edinburgh, Edinburgh, UK (1995)
B.S., Chemistry, National Taiwan University, Taipei, Taiwan (1990)


• Investigator, Institute of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Taiwan (2011-present)
• Associate Investigator, Division of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Taiwan (2006-2011)
• Assistant Investigator, Division of Biotechnology and Pharmaceutical Research, National Health Research Institutes, Taiwan (2002-2006)
• Postdoctoral Fellow, University of Edinburgh, UK (1999-2001)


The main research interests in Dr. Wu's lab are to effectively identify drug hits by advanced structure-based virtual screening and computer-aided drug design technology. The interactions of drug hits with the target proteins are studied by x-ray protein crystallography to facilitate the further drug lead optimization.


Structure-based drug design has played an important role in the drug discovery process because of its efficiency to reduce the high cost and wastage in time and money to discover a novel drug. This approach promises the development of drugs which have more specificity toward the targets and fewer side effects, since the lead compounds can be modified atom by atom to fit their specific targets by visualizing the three-dimensional structure of the target protein-drug complex using x-ray crystallographic technology. Dr. Wu's lab works closely with other labs, including chemistry, molecular biology, pharmacology labs in the Division of Biotechnology and Pharmaceutical Research, National Health Research Institutes, to discovery and develop novel anti-diabetics, anti-virus and anti-cancer drugs.


Yi-Hui Peng , Hui-Yi Shiao , Chih-Hsiang Tu , Pang-Min Liu , John Tsu-An Hsu , Prashanth Kumar Amancha , Jian-Sung Wu , Mohane Selvaraj Coumar , Chun-Hwa Chen , Sing-Yi Wang , Wen-Hsing Lin , Hsu-Yi Sun , Yu-Sheng Chao , Ping-Chiang Lyu , Hsing-Pang Hsieh, and Su-Ying Wu (Corresponding author) " Protein Kinase Inhibitor Design by Targeting the Asp-Phe-Gly (DFG) Motif: The Role of the DFG Motif in the Design of Epidermal Growth Factor Receptor Inhibitors" (2013) J. Med. Chem. Publication Date (Web): April 23, 2013
Jiun-Ming Wu, Chiung-Tong Chen, Mohane Selvaraj Coumar,Wen-Hsin Lin, Zi-Jie Chen, John T.-A. Hsu, Yi-Hui Peng, Hui-Yi Shiaa, Wen-Hsing Lin, Chang-Ying Chua, Jian-Sung Wu, Chih-Tsung Lin, Ching-Ping Chen, Ching-Cheng Hsueh, Kai-Yen Chang, Li-Pin Kao, Chi-Ying F. Huang, Yu-Sheng Chao, Su-Ying Wu (Corresponding author), Hsing-Pang Hsieh, and Ya-Hui Chi "Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules. " (2013) Proc Natl Acad Sci U S A. 110(19) : E1779-87
Jian-Sung Wu, Yi-Hui Peng, Jiun-Ming Wu, Chieh-Jui Hsieh, Szu-Huei Wu, Mohane Selvaraj Coumar, Jen-Shin Song, Jinq-Chyi Lee, Chi-Hui Tsai, Chiung-Tong Chen, Yu-Wei Liu, Yu-Sheng Chao, and Su-Ying Wu, (Corresponding author) "Discovery of non-glycoside sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors by ligand-based virtual screening" (2010) J. Med. Chem. 53(24),8770-8774)

Yi-Hui Peng, Mohane Selvaraj Coumar, Jiun-Shyang Leou, Jian-Sung Wu, Hui-Yi Shiao, Chia-Hui Lin, Wen-Hsing Lin, Tzu Wen Lien, Xin Chen, John T.-A. Hsu, Yu-Sheng Chao, Ping-Chiang Lyu, Hsing-Pang Hsieh and Su-Ying Wu,(Corresponding author) "Structural basis for the improved potency of peroxisome proliferator-activated receptor (PPAR) agonists" (2010) ChemMedChem 5 (10), 1707-1716
Chun Hei Antonio Cheung, Su-Ying Wu, Tian-Ren Lee, Chi-Yen Chang, Jian-Sung Wu, Hsing-Pang Hsieh, Jang-Yang Chang "Cancer Cells Acquire Mitotic Drug Resistance Properties Through Beta I-Tubulin Mutations and Alterations in the Expression of Beta-Tubulin Isotypes" (2010) Plos One 5(9): e12564
Nien CY, Chen YC, Kuo CC, Hsieh HP, Chang CY, Wu JS, Wu SY, Liou JP, Chang JY. "5-Amino-2-aroylquinolines as highly potent tubulin polymerization inhibitors" (2010) J. Med. Chem. 53 (5), 2309-2313
Coumar MS, Tsai MT, Chu CY, Uang BJ, Lin WH, Chang CY, Chang TY, Leou JS, Teng CH, Wu JS, Fang MY, Chen CH, Hsu JT, Wu SY, Chao YS, Hsieh HP. "Identification, SAR studies, and X-ray co-crystallographic analysis of a novel furanopyrimidine aurora kinase A inhibitor" (2010) ChemMedChem 5 (2), 255-267
Wu YS, Coumar MS, Chang JY, Sun HY, Kuo FM, Kuo CC, Chen YJ, Chang CY, Hsiao CL, Liou JP, Chen CP, Yao HT, Chiang YK, Tan UK, Chen CT, Chu CY, Wu SY, Yeh TK, Lin CY, Hsieh HP. "Synthesis and evaluation of 3-aroylindoles as anticancer agents: metabolite approach. " (2009) J. Med. Chem. 52 (15), 4941-4945
Chiang YK, Kuo CC, Wu YS, Chen CT, Coumar MS, Wu JS, Hsieh HP, Chang CY, Jseng HY, Wu MH, Leou JS, Song JS, Chang JY, Lyu PC, Chao YS, Wu SY(Corresponding author). "Generation of Ligand-Based Pharmacophore Model and Virtual Screening for Identification of Novel Tubulin Inhibitors with Potent Anticancer Activity" (2009) J. Med. Chem. 52 (14), 4221-4233
Chia-Hui Lin, Yi-Hui Peng, Mohane Selvaraj Coumar, Santhosh Kumar Chittimalla, Chun-Chen Liao, Ping-Chiang Lyn, Chin-Chieh Huang, Tzu-Wen Lien, Wen-Hsing Lin, John T.-A. Hsu, Jai-Hong Cheng, Xin Chen, Yu-Sheng Chao, Hwei-Jen Lee, Chiun-Gung Juo,Su-Ying Wu, (Corresponding author),Hsing-Pang Hsieh, "Design and structural analysis of novel pharmacophores for potent and selective PPAR? agonists" (2009) J. Med. Chem. 52 (8), 2618-2622
Mohane S Coumar, Jiun-Shyang Leou, Paritosh Shukla, Jian-Sung Wu, Ajay Dixit, Wen-Hsing Lin, Chung-Yu Chang, Tzu-Wen Lien, Uan-Kang Tan, Chun-Hwa Chen, John Hsu, Yu-Sheng Chao, Su-Ying Wu,(Corresponding author), Hsing-Pang Hsieh, "Structure-based drug design of novel Aurora kinase A inhibitors:Structural basis for potency and specificity" (2009) J. Med. Chem. 52(4), 1050-10624.
Gadarla Randheer Reddy, Ching-Chuan Kuo, Uan-Kang Tan, Mohane Selvaraj Coumar, Chi-Yen Chang, Yi-Kun Chiang, Mei-Jung Lai, Jiann-Yih Yeh, Su-Ying Wu, Jang-Yang Chang, Jing-Ping Liou , Hsing-Pang Hsieh "Synthesis and Structure-Activity Relationships of 2-Amino-1-aroylnaphthalene and 2-Hydroxy-1-aroylnaphthalenes as Potent Antitubulin Agents" (2008) J. Med. Chem. 51 (24), 8163-8167
Mohane S Coumar, Jian-Sung Wu, Jiun-Shyang Leou, Chung-Yu Chang, Teng-Yuan Chang, Wen-Hsing Lin, John T Hsu, Yu-Sheng Chao, Su-Ying Wu, (Corresponding author), Hsing-Pang Hsieh "Aurora kinase A inhibitors: Identification, SAR exploration and molecular modeling of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione scaffold" (2008)Bioorg. Med. Chem. Lett.18(5), 1623-1627
I-Lin Lu, Keng-Chang Tsai, Yi-Kun Chiang, Weir-Torn Jiaang, Ssu-Hui Wu, Chia-Hui Chien, Shiow-Ju Lee, Xin Chen, Yu-Sheng Chao, and Su-Ying Wu,(Corresponding author) "A Three-Dirnension Pharmacophore Model for Dipeptidy1 Peptidase IV Inhibitors" (2008) Eur. J. Med. Chem. 43(8), 1603-1611
Neeraj Mahindroo, Yi-Huei Peng, Chia-Hui Lin, Uan-Kang Tan, Ekambaranellore Prakash, Tzu-Wen Lien,I-Lin Lu, Hong-Jen Lee, John Tsu-An Hsu, Xin Chen, Chun-Chen Liao, Ping-Chiang Lyu, Yu-Sheng Chao, Su-Ying Wu(Corresponding author) and Hsing-Pang Hsieh "Structural Basis for the Structure-Activity Relationships of Peroxisome Proliferator-Activated Receptor Agonists" (2006) J. Med. Chem. 49 (21), 6421-6424
I-Lin Lu, Neeraj Mahindroo, Po-Huang Liang, Yi-Hui Peng, Chih-Jung Kuo, Hsing-Pang Hsieh, Yu-Sheng Chao, and Su-Ying Wu(Corresponding author) "Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of SARS-CoV Main Protease" (2006) J. Med. Chem. 49 (17), 5154-5161
Keng-Chang Tsai, Shih-Yuan Chen, Po-Huang Liang, I-Lin Lu, Neeraj Mahindroo, Hsing-Pang Hsieh, Wei Lien ,Yu-Sheng Chao, Thy-Hou Lin and Su-Ying Wu (Corresponding author) "Discovery of a Novel Family of SARS-CoV Protease Inhibitors by Virtual Screening and 3D-QSAR Studies" (2006)J. Med. Chem. 49 (12), 3485-3495

I-Lin Lu, Chien-Fu Huang, Yi-Hui Peng, Ying-Ting Lin,Hsing-Pang Hsieh,Chiung-Tong Chen, Tzu-Wen Lien, Hwei-Jen Lee, Neeraj Mahindroo, Ekambaranellore Prakash, Andrew Yueh, Chandra M. V. Goparaju ,Xin Chen, Chun-Chen Liao, Yu-Sheng Chao, John T.-A. Hsu, and Su-Ying Wu (Corresponding author) "Structure-Based Drug Design of a Novel Family of PPAR? Partial Agonists: Virtual Screening, X-ray Crystallography and In Vitro/In Vivo Biological Activities" (2006)J. Med. Chem.49 (9), 2703-2712
Neeraj Mahindroo, Chiung-Chiu Wang, Chun-Chen Liao, Chien-Fu Huang, Tzu-Wen Lien, Yi-Huei Peng, I-Lin Lu, Wei-Jan Huang,Ying-Ting Lin, Ming-Chen Hsu, Chia-Hui Lin, Chia-Hua Tsai, Tsu-An Hsu, Xin Chen, Ping-Chiang Lyu, Yu-Sheng Chao, Su-Ying Wu (Corresponding author),and Hsing-Pang Hsieh" Indol-1-yl Acetic Acids as Peroxisome Proliferator-Activated Receptor Agonists-Design, Synthesis, Structural Biology, and Molecular Docking Studies" (2006) J. Med. Chem. 49 (3), 1214-1216
Hsu Tsu, Xin Chen, Chiung-Tong Chen, Shiow-Ju Lee, Chung-Nien Chang, Kuo-His Kao, Mohane Selvaraj Coumar, Yen-Ting Yeh, Chia-Hui Chien, Hsin-Sheng Wang, Ke-Ta Lin, Ying-Ying Chang, Ssu-Hui Wu, Yuan-Shou Chen, I-Lin Lu, Su-Ying Wu, Ting-Yueh Tsai, Wei-Cheng Chen, Hsing-Pang Hsieh, Yu-Sheng Chao, and Weir-Torn Jiaang"2-[3-[2-[(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoethylamino]-3-methyl-1-oxobutyl]- 1,2,3,4-tetrahydroisoquinoline: a potent, selective, and orally bioavailable dipeptide-derived inhibitor of dipeptidyl peptidase IV " (2006) J. Med. Chem., 49 (1), 373 -380
Neeraj Mahindroo, Chien-Fu Huang, Yi-Huei Peng, Chiung-Chiu Wang, Chun-Chen Liao, Tzu-Wen Lien, Santhosh Kumar Chittimalla, Wei-Jan Huang, Chia-Hua Chai, Ekambaranellore Prakash, Ching-Ping Chen, Tsu-An Hsu, Cheng-Hung Peng, I-Lin Lu, Ling-Hui Lee, Yi-Wei Chang, Wei-Cheng Chen, Yu-Chen Chou, Chiung-Tong Chen, Chandra M. V. Goparaju, Yuan-Shou Chen, Shih-Jung Lan, Ming-Chen Yu, Xin Chen, Yu-Sheng Chao, Su-Ying Wu (Corresponding author), and Hsing-Pang Hsieh " Novel indole-based peroxisome proliferator-activated receptor agonists: design, SAR, structural biology, and biological activities. " (2005) J. Med. Chem., 48 (26), 8194 –8208
I-Lin Lu, Shiow-Ju Lee, Hsu Tsu, Su-Ying Wu, Kuo-His Kao, Chia-Hui Chien, Ying-Ying Chang, Yuan-Shou Chen, Jai-Hong Cheng, Chung-Nien Chang, Tung-Wei Chen, Sheng-Ping Chang, Xin Che and Weir-Torn Jiaang "Glutamic acid analogues as potent dipeptidyl peptidase IV and 8 inhibitors " (2005) Bioorg Med Chem Lett., 15 (13), 3271 -3275
Hwei-Jen Lee, Young-Hsang Lai, Su-Ying Wu and Yu-Hou Chen "The effect of N-terminal truncation on double-dimer assembly of goose delta-crystallin " (2005) Biochem J. 392,545-554
George Kontopidis , Su-Ying Wu ,Daniella I. Zheleva, Paul Taylor , Campbell McInnes , David P. Lane, Peter M. Fischer and Malcolm D. Walkinshaw “Structural and biochemical studies of human proliferating cell nuclear antigen complexes provide a rationale for cyclin association and inhibitor design. " (2005) PNAS .,102, 1871-1876
Shudong Wang, Christopher Meades, Gavin Wood, Andrew Osnowski, Sian Anderson, Rhoda Yuill, Mark Thomas, Mokdad Mezna, Wayne Jackson, Carol Midgley, Gary Griffiths, Ian Fleming, Simon Green, Iain McNae, Su-Ying Wu, Campbell McInnes, Daniella Zheleva, Malcolm D. Walkinshaw, and Peter M. Fischer "2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. " (2004) J. Med. Chem., 47 (7), 1662-1675
Su-Ying Wu, Iain McNae, George Kontopidis, Steven J. McClue, Campbell McInnes, Kevin J. Stewart, Shudong Wang, Daniella I. Zheleva, Howard Marriage, David P. Lane, Paul Taylor, Peter M. Fischer, and Malcolm D. Walkinshaw "Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop. " (2003) Structure., 11, 1-20
Su-Ying Wu., Dornan, J., Kontopidis, G., Taylor, P., Walkinshaw., M-D. "The first direct determination of a ligand binding constant in protein crystals. " (2001) Angew. Chem. Int. Ed., 40 (3),582-586
Su-Ying Wu, Pérez,M.D., Puyol, P., Sawyer, L "b-Lactoglobulin binds palmitate within its central cavity. " J. Biological Chemistry " (1999) J. Biological Chemistry., 274(1), 170-174


  • US 2005/0222222 A1 R.O.C Patent pending 94107143 "Pyrrolidine compounds"
  • US 2006/0019967 A1 R.O.C Patent pending, 94136180 "SARS CoV Main Protease Inhibitors"