Ying-Chieh Sun
Name Ying-Chieh Sun
Email sun@ntnu.edu.tw
Office Tel No. (02)77496215
website http://web.ntnu.edu.tw/~sun/
Title Professor
Research Computational biophysical chemistry, Computer - aided drug design

Academic Researches

  1.  Chia-Jen Hsu, Wen-Chi Hsu,Der-Jay Lee, An-Lun Liu, Chia-Ming Chang, Huei-Jhen Shih, Wun-Han Huang, Guey-Jen Lee-Chen, Hsiu Mei Hsieh-Li, Guan-Chiun Lee, and Ying-Chieh Sun "Investigation of the Bindings of a Class of Inhibitors with GSK3b Kinase Using Thermodynamic Integration MD Simulation and Kinase Assay" Chem. Biol. Drug Des. (2017, accepted)
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  2. Chih-Hsin Lin, Yu-Shao Hsieh, Yih-Ru Wu, Chia-Jen Hsu, Hsuan-Chiang Chen, Hsiu Mei Hsieh-Li, Ming-Tsan Su, Ying-Chieh Sun*, Guan-Chiun Lee*, Guey-Jen Lee-Chen*, "Identifying GSK-3<beta> kinase inhibitors of Alzheimer's disease: Virtual screening, enzyme, and cell assays", European Journal of Pharmaceutical Sciences (accepted 2016) Reference LinkReference Link
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  6. Xu-Nan Tang, Cheng-Wei Lo, Yu-Chung Chuang, Chao-Tung Chen, Ying-Chieh Sun, Yi-Ren Hong, and Chia-Ning YangPrediction of the binding mode between GSK3b and a peptide derived from GSKIP using molecular dynamics simulation”, Biopolymers, (accepted).
  9. Jia-Yang Chen, Sin-Ming Huang, Yen-An Tang, Hsueh-Fen Juan, Li-Wha Wu, Ying-Chieh Sun, Szu-Chi Wang, Kuan-Wei Wu, Gopula Balraj, Tzu-Tin Chang, Wen-Shan Li, Hung-Chi Cheng, and Yi-Ching Wang, "A novel sialyltransferase inhibitor suppresses FAK/paxillin and angiogenesis signaling and cancer metastasis”, Cancer Research, 71, 473-483 (2011).
  10. InLin Chiu and Ying-Chieh Sun, “Calculation of Binding Affinity for Colchicine Analogues Binding with Tubulin Using MD/MM-PBSA Method” (in preparation)
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  12. Cheng-Chang Hsu, Shih-Hong Wang, Hsing-Pang Hsieh, and Ying-Chieh Sun “Comparative Molecular Field Analysis of Anti-tubulin Agents with Indole Ring Binding at the Colchicine Binding Site”, J. Theore. Comput. Chem., 9, 279-291 (2010).
  13. Ying-Chieh Sun, “Examination of Effects of GSK3b Phosphorylation, b-catenin Phosphorylation, and b-catenin Degradation in Kinetics of Wnt Signaling Pathway Using Computational Method” Theore. Biol. Med. Modelling, 6: 13 (2009).
  14. Shu-Ping Lin, Kun-Chang Tseng, Ming-Chou Lin, Chii-Dong Chen, Chia-Chang Tsai, Shu-Han Yu, Ying-Chieh Sun, Tsung-Wu Lin, Chien-Yuan Pan, and Yit-Tsong Chen, “A Reversible Surface Functionalized Nanowire Transistor to Study Protein-Protein Interactions" Nano Today, 4, 235-243 (2009).
  15. Wen-Hung Wang, Yi-Ching Wang, and Ying-Chieh Sun, ‘A 3D-QSAR study of Celebrex-based PDK1 Inhibitors Using CoMFA Method’ J. Chin. Chem. Soc. 56, 59-64 (2009).
  16. Yi-Hung Tan, Kung-Hsueh Lee, Topp Lin , Ying-Chieh Sun , Hsueh-Fen Juan, Yi-Ching Wang , ‘Cytotoxicity and Proteomics Analyses of OSU03013 in Lung Cancer’, Clinical Cancer Research, 14, 1823-1830 (2008).
  17. C.C. Chen, Chung-Cheng Wei , Ying-chieh Sun and Chi-Ming Chen , ''Packing of Transmembrane Helices in Bacteriorhodopsin Folding: Structure and Thermodynamics’, Journal of Structural Biology, 162, 237-247 (2008)
  18. Wei-Zhou Wang, Topp Lin , and Ying-Chieh Sun ,‘Examination of the Folding of a Short Alanine-Based Helical Peptide with Salt Bridges Using Molecular Dynamics Simulation’ J. Phys. Chem. B, 111, 3508-3514, (2007).
  19. Jeng-Han Wang, M. C. Lin, Ying-Chieh Sun,‘Reactions of Hydrazoic Acid on TiO2 Nanoparticles: An Experimental and Computational Study’ J. Phys. Chem. B, 109, 5133-5142 (2005).
  20. Chung-Cheng Wei, Ming-Hsun Ho, Wen-Hung Wang, and Ying-Chieh Sun ‘Molecular Dynamics Simulation of Folding of a Short Helical Peptide with Many Charged Residues’, J. Phys. Chem. B, 109, 19980-19986, (2005). SCI.
  21. Ying-Chieh Sun, I-Ting Wang, Thanh Lam Nguyen, Hsiu-Feng Lu, Xueming Yang, and Alexander M. Mebel‘A Combined Quantum Chemistry and RRKM Calculation Predicts the O(1D) + C2H6 Reaction Can Produce Water Molecule in Collision-free Crossed Molecular Beam Environment’ J. Phys. Chem. A 107, 6986-6994 (2003). SCI.
  22. Chai Ling Fan, Wei-Der Lee, Nai-Wei Teng, Ying-Chieh Sun and Kwunmin Chen,‘Asymmetric Epoxidation of Camphor N-Enoylpyrazolidinones with Methyl(trifluoromethyl)dioxirane and Urea Hydrogen Peroxide Complex: Reversal of Stereoselectivity’ J. Org. Chem. 68, 9816, (2003). SCI.
  23. Ming-Hsun Ho and Ying-Chieh Sun, ‘Molecular Dynamics Simulation of Hydrogen-covered Si(100):H-2x1 surface: Calculation of Vibrational Energy Relaxation Rates of Hydrogen Stretching Modes’ Surf. Sci., 516, L540-L546 (2002). SCI.
  24. Man-kit Leung, Ashis B. Mandal, Chih-Chieh Wang, Gene-Hsiang Lee, Shie-Ming Peng, Hsing-Ling Cheng, Guor-Rong Her, Ito Chao, Hsiu-feng Lu, Ying-Chieh Sun, Mei-Ying Shiao, and Pi-Tai Chou,‘Self-complementarity of oligo-aminopyridines: a new class of hydrogen-bonded ladders’ J. Am. Chem. Soc., 124, 4287 (2002) . SCI.
  25. Hsiu-Feng Lu and Ying-Chieh Sun, ‘Calculated Energies of Adsorption of Non-hydrocarbon Species on Diamond H/C(111) Surface and the Abstraction Energies of these Species Abstracted by Hydrogen Atoms Using ab initio Calculation’Diamond and Related Materials, 11, 1560 (2002) . SCI.
  26. Hsiu-Feng Lu and Ying-Chieh Sun, ‘Calculation of Hydrogen Abstraction Reaction on Hydrogen-covered H/C(111) Diamond Surface Abstracted by Non-Hydrocarbon Species’ Surf. Sci. 494 L787-L792 (2001). SCI.
  27. Ying-Chieh Sun, Hsiu-Feng Lu, and Ming-Shun Ho,2000,`Molecular dynamics simulation of hydrogen isotope-terminated silicon (111) and (110) surfaces: calculation of vibrational energy relaxation rates of hydrogen isotope stretching modes’Chem. Phys. Lett. ,  318, 7-14. SCI.
  28. Ying-Chieh Sun, Shu-Fen Yang, I-Lun Hwang,and Tzu-Hsien Wu, 1999 `A 500 ps Molecular dynamics simulation trajectory of cardiotoxin II from Taiwan cobra venom in solution: correlation with NMR and X-ray crystallography data‘ J. Comput. Chem. , 20, 546-562. SCI.
  29. Hsiu-Feng Lu, Ming-Shun Ho, Sho-Ching Hong, Ai-Hsin Liu, Pei-Fang Wu, and Ying-Chieh Sun, 1998,‘Determination of vibrational energy relaxation rates of C-H,D,T stretching modes on hydrogen, deuterium, and tritium-terminated H,D,T/C(111) and H,D,T/C(110) surfaces using molecular dynamics simulation: thermal effect’ J. Chem. Phys.,  109,6898-6904. SCI.
  30. Ying-Chieh Sun and Jiunn-Ming Chen,1997,‘ Calculations of vibrational energy relaxation rates of C-H,D,T stretching modes on hydrogen, deuterium, and tritium-terminated H,D,T/C(111)lxl surface’ J. Phys. Chem., 101, 7082-7086. SCI.
Year Paper Title
2022 Virtual Screening and Testing of GSK-3 Kinase Inhibitors Us-ing Human SH-SY5Y Neuronal Cells Expressing Tau Folding Reporter and Mouse Hippocampal Primary Neuron Culture Under Tau Cytotoxicity, Biomol Ther, Jul. 2022
2021 Flavones 7,8-DHF, Quercetin, and Apigenin Against Tau Toxicity via Activation of TRKB Signaling in ΔK280 TauRD-DsRed SH-SY5Y Cells, Frontiers in Aging Neuroscience, Dec. 2021
2021 Multi-Target Effects of Novel Synthetic Coumarin Derivatives Protecting Aβ-GFP SH-SY5Y Cells against Aβ Toxicity, Cells, Nov. 2021
2021 Novel Synthetic Coumarin-Chalcone Derivative (E)-3-(3-(4-(Dimethylamino)Phenyl)Acryloyl)-4-Hydroxy-2H-Chromen-2-One Activates CREB-Mediated Neuroprotection in Aβ and Tau Cell Models of Alzheimer’s Disease, Oxidative Medicine and Cellular Longevity, Nov. 2021
2020 LMDS-1, a potential TrkB receptor agonist provides a safe and neurotrophic effect for early-phase Alzheimer’s disease, Psychopharmacology, vol. 237, Oct. 2020
2020 Targeting Inflammation, PHA-767491 Shows a Broad Spectrum in Protein Aggregation Diseases, J. Mol. NeuroSci., vol. 70, Mar. 2020
2020 Effective methane conversion to methanol on bi-functional graphene-oxide-supported platinum nanoclusters (Pt5) – a DFT study, Phys. Chem. Chem. Phys., vol. 22, Feb. 2020
2019 Novel compound VB-037 inhibits Aβ aggregation and promotes neurite outgrowth through enhancement of HSP27 and reduction of P38 and JNK-mediated inflammation in cell models for Alzheimer's disease, Neurochemistry International, vol. 125, May. 2019
2019 Chronic low dose of AM404 ameliorates the cognitive impairment and pathological features in hyperglycemic 3xTg-AD mice., Psychopharmacology, vol. 236, Jan. 2019
2018 Synthesis of (3S,4S,5S)-trihydroxylpiperidine derivatives as enzyme stabilizers to improve therapeutic enzyme activity in Fabry patient cell lines, European Journal of Medicinal Chemistry, vol. 144, Jan. 2018
2017 Investigation of the Bindings of a Class of Inhibitors with GSK3 Kinase Using Thermodynamic Integration MD Simulation and Kinase Assay, Chem. Biol. Drug Des., vol. 90, Jan. 2017
2016 Identifying GSK-3 kinase inhibitors of Alzheimer's disease: Virtual screening, enzyme, and cell assays, European Journal of Pharmaceutical Sciences, vol. 89, Jun. 2016
2015 Investigation into the Binding Affinity Differences in Ligands with un-Tagged and Tagged p38 Kinase Using Thermodynamic Integration MD Simulation, Journal of Molecular Modeling, vol. 21, Nov. 2015
2014 Using thermodynamic integration MD simulation to compute relativeprotein–ligand binding free energy of a GSK3 kinase inhibitorand its analogs, Journal of Molecular Graphics and Modelling, vol. 51, Jun. 2014
2012 Computation of relative binding free energy for an inhibitor and its analogs binding with Erk kinase using thermodynamic integration MD simulation, J. Comput. Aided Mol. Des., vol. 26, Oct. 2012
2011 Prediction of the binding mode between GSK3b and a peptide derived from GSKIP using molecular dynamics simulation, Biopolymers, vol. 95, Jul. 2011
2011 A novel sialyltransferase inhibitor suppresses FAK/paxillin and angiogenesis signaling and cancer metastasis, cancer research, vol. 71, Jan. 2011
2010 Comparative Molecular Field Analysis of Anti-tubulin Agents with Indole Ring Binding at the Colchicine Binding Site, Journal of Theoretical and Computational Chemistry, vol. 9, Jan. 2010
2009 Examination of effects of GSK3β phosphorylation, β-catenin phosphorylation, and β-catenin degradation on kinetics of Wnt signaling pathway using computational method, Theoretical biology and medical modelling, vol. 6, Jul. 2009
2009 A 3D-QSAR study of Celebrex-based PDK1 Inhibitors Using CoMFA Method, Journal of the Chinese Chemical Society, vol. 56, Feb. 2009
2009 A Reversible Surface Functionalized Nanowire Transistor to Study Protein-Protein Interactions, Nano Today, vol. 4, Jan. 2009
2008 Cytotoxicity and Proteomics Analyses of OSU03013 in Lung Cance, Clinical Cancer Research, vol. 14, Mar. 2008
2008 Journal of Structural Biology, Packing of transmembrane helices in bacteriorhodopsin folding: Structure and thermodynamics, vol. 162, Jan. 2008
2007 Molecular Dynamics Simulation of Folding of a Short Helical Toxin Peptide, J. Theore. Comput. Chem., vol. 6, Jun. 2007
2007 Examination of the Folding of a Short Alanine-Based Helical Peptide with Salt Bridges Using Molecular Dynamics Simulation, Journal of Physical Chemistry B, vol. 111, Feb. 2007
Year Project Title Participator Job Title Period Unit
2023 TrkB受體訊息傳遞路徑動力學及其雙穩態行為之計算研究 主持人 2022.08 ~ 2023.07 科技部(原國科會)
2018 新穎酵素蛋白質抑制劑的開發與設計:以分子動態模擬與酵素實驗研究蛋白質-配體結合自由能與結合構形 主持人 2017.08 ~ 2018.07 科技部(原國科會)
2018 以理論計算方法探討高活性金屬奈米團簇與石墨烯在催化反應上的應用 主持人 2016.08 ~ 2018.07 科技部(原國科會)
2017 以熱力學積分分子動態模擬方法研究激酶與配體複合體-結合嵌合計算及酵素實驗 主持人 2015.08 ~ 2017.07 科技部(原國科會)
2015 配體與蛋白質的結合自由能研究:分子動態模擬和嵌合計算 主持人 2014.08 ~ 2015.07 科技部(原國科會)
2015 阿茲海默氏症的治療策略—從基因到行為,--以阿茲海默氏症小鼠模式評估GSK3抑制劑之治療潛力—奠基於電腦輔助藥物設計及激酶生化檢測(2/2) 化學系 協同/共同主持人 2014.08 ~ 2015.07 科技部(原國科會)
2014 阿茲海默氏症的治療策略—從基因到行為-以阿茲海默氏症小鼠模式評 估GSK3抑制劑之治療潛力—奠基於電腦輔助藥物設計及激酶生化檢測(1/2) 化學系 協同/共同主持人 2013.08 ~ 2014.07 國科會
2013 抑制劑化合物與蛋白質結合自由能和生化反應網路動力學之計算研究 主持人 2013.02 ~ 2013.05 科技部(原國科會)
2013 抑制劑化合物與蛋白質結合自由能和生化反應網路動力學之計算研究 主持人 2012.08 ~ 2013.07 國科會
2012 生化分子作用及動力學之計算化學研究: Kinase之抑制及在細胞訊息傳遞路徑的角色 主持人 2011.08 ~ 2012.07 國科會
2011 生化分子作用及動力學之計算化學研究: Kinase之抑制及在細胞訊息傳遞路徑的角色 主持人 2010.08 ~ 2011.07 國科會
2010 生化分子作用及動力學之計算化學研究: Kinase之抑制及在細胞訊息傳遞路徑的角色 主持人 2009.08 ~ 2010.07 國科會
2009 生化分子之計算化學研究:(1)胜肽鏈折疊/展開(2)分子結合 主持人 2008.08 ~ 2009.07 國科會
2008 生化分子之計算化學研究:(1)胜肽鏈折疊/展開(2)分子結合 主持人 2007.08 ~ 2008.07 國科會
2007 生化分子之計算化學研究:(1)胜肽鏈折疊/展開(2)分子結合 主持人 2006.08 ~ 2007.07 國科會
Country School Name Department Degree Duration
U.S. University of Pennsylvania Department of chemistry Ph.D. 1989.09 ~ 1994.06
Taiwan National Taiwan University Department of chemistry B.S. 1983.09 ~ 1987.06
Organization Title Department Job Title Duration
National Taiwan Normal University Department of chemistry Professor 2000.01 ~ Up to today
National Taiwan Normal University Department of Chemistry Associate Professor 1996.01 ~ 2000.01
University of California, San Francisco Department of Pharmaceutical Chemistry Postdoctoral Research 1994.01 ~ 1996.01