Postdoctoral Fellow, Radiobiology and Experimental Radionuclide Therapy Section, Laboratory for Experimental Nuclear Medicine, Joint Program of Nuclear Medicine (JPNM), Harvard Medical School  

   Computer-aided molecular design and development of radioiodinated Hoechst analogs underlying radiation induced DNA damage and cell death

    Design and synthesis of radioiodinated heterocyclic small molecules (Prodrug) for enzyme-mediated insolubilization solid tumor imaging and therapy

    Bio-rational molecular design, synthesis, and evaluation of protoporphyrinogen oxidase (Protox) inhibitors based on pharmacophore model

    Computer-aided molecular design, synthesis, and evaluation of novel photosystem II D1 protein and acetolactate synthase inhibitors

    Development of new synthetic method of phosphoryl heterocyclic compounds

-  Molecular Modeling Tools:

    Commercial:  Insight II, Sybyl, Cerius 2, Catalyst, Quanta, CAChe, DSViewerPro, MDL/ISIS, etc.       

        Academic:  AutoDock, Dock, Gold, Rasmol, etc.

-  Computer System:  UNIX, Linux, PC

-  Program Language: Basic, Fortran, c, c++, java

-  Multi-step organic synthesis, purification, and characterization (NMR, MS, HPLC, FT-IR, GC, TLC) of various types of organic compounds

-  Solid-phase combinatory synthesis

-  Microwave assistant organic synthesis

-  In vitro receptor binding assay

-  Radiolabeling with radioiodine

-  Radiotracer analysis

1. Kai Chen, S. J. Adelstein, Amin I. Kassis, Molecular Simulation of Ligand-Binding with DNA: Implications for ¹²⁵I-Labelled Pharmaceutical Design, International Journal of Radiation Biology, 2004, 80(11-12):921-926.

2. Kai Chen, S. J. Adelstein, Amin I. Kassis, Molecular Modeling of Interactions of Iodinated Hoechst 33342 Analogs with DNA: Implications for New Radiopharmaceutical Design, Journal of Molecular Structure: THEOCHEM, 2004,711(1-3): 49-56.

3. Nan-hui Ho, Ravi S. Harapanhalli, Bassam A. Dahman, Kai Chen, Ketai Wang, S. James Adelstein, and Amin I. Kassis, Synthesis and Biologic Evaluation of a Radioiodinated Quinazolinone Derivative for Enzyme-Mediated Insolubilization Therapy, Bioconjugate Chem., 2002,13(2): 357-364.

4. Cheng Yong-Hao, Chen Kai, Yang Hua-Zheng, Synthesis of Novel Type ALS Inhibitors Based on Pharmacophore Model Design, Chem. J. Chinese Universities, 2004, 25(2): 276-280.

5. Chen, Kai, Wu, Chao, Zou, Xiao-Mao, Yang, Hua-Zheng, 3D-database searching based on pharmacophore model of protox inhibitors, Computers and Applied Chemistry, 2003, 20(5): 649-652.

6. Chen Kai, Cheng Yong-Hao, Yang Hua-Zheng, 3D-database Searching Based on ALS Inhibitors' Pharmacophore Model, Computers and Applied Chemistry, 2002, 19(5): 551-554.

7. Chen Kai, Cheng Yong-Hao, Yang Hua-Zheng, Using DISCO Method to Build Pharmacophore Model of ALS inhibitors, ACTA CHIMICA SINICA, 2002, 60(3): 518-523.

8. Chen Kai, Yang Hua-Zheng, Li Yong-Hong, Design, Synthesis, and Biological Activities of Novel Protox Inhibitors Based on Pharmacophore Model (III)¾Solid Phase Synthesis and Biological Activities of Novel Protox Inhibitors, Chem. J. Chinese Universities, 2001, 22: 111-115.

9. Kai Chen, Hua-Zheng Yang, Stepwise Oxidation of Ketene Dithioacetal, Chin. Chem. Lett., 2001, 12(10): 865-868.

10. Kai Chen, Hua-Zheng Yang, Zhun Liu, et al., Synthesis of Novel Phosphonyl/S-methyl Ketene Thioacetals and N-substituted Phosphonyl/S-methyl Thiocarbonates under Microwave Irradiation, Chin. J. Org. Chem., 2001, 21(9): 690-692.

11. Chen Kai, Hu Fang-Zhong, Zhang Jin-Hua, et al., Progress in the Synthetic Methods of Phosphonyl Heterocyclic Compounds, Chin. J. Org. Chem., 2000, 20(6): 866-873.

12. Chen Kai, Yang Hua-Zheng, Weng Lin-Hong, et al., Synthesis and Crystal Structure of 1-Methylsulfinyl-1-methylthio-2-cyano-2-phenylethylene, Chin. J. Struc. Chem., 2000, 19(5): 338-342.

13. Hua-Yin Liu, Guang-Fu Yang, Kai Chen, et al.,  A facile synthesis of 3-aryl-5-cyano-6-methylthiopyrimidine-2,4-dione, Synthetic Communications, 1999, 29(18): 3143-3147.

14. Liu Hua-Yin, Lu Rong-Jian, Chen Kai, et al., Studies on Bio-rational Design of Photosystem II Inhibitors (VII) ¾ Synthesis and Hill Inhibitory Activity of Ethyl 2-Cyano-3-methylthio-3-arylaminoacrylates, Chem. J. Chinese Universities, 1999, 20(3): 411-414.

15. Chen Kai, Zhang Jin-Hua, Wu Chao, et al., Synthesis of novel phosphonyl heterocyclic compounds (II), J. Xiamen Univ. (Nature Science), 1999, 38: 488.

16. Xiao-Mao Zou, Kai Chen, Hua-Zheng Yang, A Facile Synthesis of Phosphonyl Heterocyclic Compounds, Chem. J. Chinese Universities, 1998, 19(8): 362-363.

17. Hua-Zheng Yang, Hua-Yin Liu, Kai Chen, Synthesis of Ethyl 2-Cyano-3-Methylthio-3’-Aryaminoacrylate from Low Nucleophilic Amine, Chem. J. Chinese Universities, 1998, 19(8): 212-213.

1. Application of Molecular Simulation Methods to New Radiopharmaceutical Design: Case Study Using DNA-binding IodoHoechst Ligands, 227th ACS National Meeting, Anaheim, CA, United States, March 28-April 1, 2004. COMP-317.

2. Molecular Simulation of Ligand Binding with DNA: Implications for New Radiopharmaceutical Design, 5th Auger Symposium―An International Meeting on Physical, Molecular and Cellular Aspects of Auger Processes, East Melbourne, Australia, August 13-15, 2003.

3. Molecular Simulation of Ligand Binding with DNA: Implications for New Radiopharmaceutical Design, 50th Annual Meeting of the Society of Nuclear Medicine, New Orleans, LA, June 21-25, 2003. J. Nucl. Med., 2003, 44(5) Suppl: 302P-303P.

4. An Insoluble Radioiodinated Quinazolinone Derivative for Enzyme-Mediated Anticancer Therapy, 50th Annual Meeting of the Society of Nuclear Medicine, New Orleans, LA, June 21-25, 2003. J. Nucl. Med., 2003, 44(5) Suppl: 306P.

5. A Radioiodinated Quinazolinone Derivative for Enzyme-Mediated Anticancer Therapy, 12th International Congress of Radiation Research, Brisbane, Australia, June 17-22, 2003.

6. Molecular Simulation of Ligand-Binding with DNA: Implications for New Radiopharmaceutical Design, 1st conference of “Computational Biology: Function, Pathways, Phylogenies and Populations”, Cambridge, MA, May 18-19, 2003.

7. Molecular-Modeling-Aided Design and Synthesis of Tumor RadioImaging Prodrugs, 1st conference of “Computational Biology: Function, Pathways, Phylogenies and Populations”, Cambridge, MA, May 18-19, 2003.

8. Synthesis of Novel Phosphonyl/S-methyl Ketene Thioacetal under Microwave Irradiation, Microwave 2000: Sustainable Technology for the New Millennium and the Third Chinese Microwave Chemistry Symposium, May, Tianjin, 2000: 44-46.

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