Sundar Thangapandian
Postdoctoral Research Associate
Address:
Beckman Institute, Room 3047,
University of Illinois at Urbana-Champaign,
405 N. Mathews Ave.,
Urbana, IL 61801.
Telephone:
(217)-721-1817
E-mail:
Education
- Ph.D., Computational Biochemistry, 2012
Gyeongsang National University, South Korea.
- M.Tech., Pharmaceutical Chemistry, 2006
Vellore Institute of Technology, India.
- B.Pharm., General Pharmacy, 2002
Tamil Nadu Dr. MGR Medical University, India.
Research Interests
- Characterizing large-scale conformational changes in complex biological events
- Computer-Aided Drug Discovery
Selected Publications
- G. Enkavi, J. Li, P.-C. Wen, S. Thangapandian, M. Moradi, T. Jiang, W. Han, and E. Tajkhorshid. A Microscopic View of the Mechanisms of Active Transport Across the Cellular Membrane. Annual Reports in Computational Chemistry 31: 96-105, 2014.
- S. John, S. Thangapandian, K.W. Lee. New Insights in the Activation of Human Cholesterol Esterase to Design Potent Anti-cholesterol Drugs.Molecular Diversity 18, 119-131, 2014.
- S. Hwang, S. Thangapandian, K.W. Lee. Molecular Dynamics Simulations of Sonic Hedgehog-Receptor and Inhibitor Complexes and Their Applications for Potential Anticancer Agent Discovery. PLoS One 8, e68271, 2013.
- S. Thangapandian, S. John, M. Son, V. Arulalapperumal, K.W. Lee. Development of Predictive QSAR Model and Its Application in the Discovery of Human Leukotriene A4 Hydrolase Inhibitors. Future Medicinal Chemistry 5, 27-40, 2013.
- S. Thangapandian, S. John, Y. Lee, V. Arulalapperumal, K.W. Lee. Molecular Modeling Study on Tunnel Behavior in Different Histone eacetylase Isoforms. PLoS One 7, e49327, 2012.
- S. Thangapandian, S. John, K.W. Lee. Structural origins for the loss of catalytic activities of bifunctional human LTA4H: clues to design specific inhibitors through molecular dynamics simulations. PLoS One 7(7), e41063, 2012.
- S. Thangapandian, S. John, K.W. Lee. Molecular Dynamics Simulation Study and Hybrid Pharmacophore Model Development in Human LTA4H Inhibitor Design. PLoS One 7, e34953, 2012.
- A. Telke, S. Thangapandian, K.W. Lee, S.W. Kim. Construction and characterization of chimeric cellulases with enhanced catalytic activity towards insoluble cellulosic substrates. Bioresource Technology 112, 10-17, 2012.
- S. Thangapandian, S. John, K. W. Lee. Molecular Dynamics Simulation Study Explaining Inhibitor Selectivity in Different Class of Histone Deacetylases. Journal of Biomolecular Structure and Dynamics 29, 677, 698, 2012.
- S.Thangapandian, S. John, Y. Lee, S. Kim, K.W. Lee. Dynamic Structure-Based Pharmacophore Model Development: A New and Effective Addition in the HDAC8 Inhibitor Discovery. International Journal of Molecular Sciences 12, 9440-9462, 2011.
- S. John, S. Thangapandian, M. Arooj, K.W. Lee. Development, Evaluation and Application of 3D QSAR Pharmacophore Model in the Discovery of Potential Human Renin Inhibitors. BMC Bioinformatics 12 (Suppl 14) : S4, 2011.
- S. Thangapandian, S. John, S. Sakkiah, K.W. Lee. Discovery of Potential Integrin VLA-4 Antagonists Using Pharmacophore Modeling, Virtual Screening and Molecular Docking Studies. Chemical Biology and Drug design 78, 289-300, 2011.
- S. Thangapandian, S. John, S. Sakkiah, K.W. Lee. Potential Virtual Lead Identification in the Discovery of Renin Inhibitors: Application of Ligand and Structure-Based Pharmacophore Modeling Approaches. European Journal of Medicinal Chemistry 46, 2469-2476, 2011.
- S.Thangapandian, S. John, S. Sakkiah, K.W. Lee. Pharmacophor-Based Virtual Screening and Bayesian Model for the Identification of Potential Human Leukotriene A4 Hydrolase Inhibitors. European Journal of Medicinal Chemistry 46, 1593-1603, 2011.
- S. Thangapandian, S. John, S. Sakkiah, K.W. Lee. Molecular Docking and Pharmacophore Filtering in the Discovery of Dual-inhibitors for Human Leukotriene A4 Hydrolase and Leukotriene C4 Synthase. Journal of Chemical Information and Modeling 51, 33-44, 2011.
- S. Thangapandian, S. John, S. Sakkiah, K.W. Lee. Docking Enabled Pharmacophore Model for Histone Deacetylase. Journal of Molecular Graphics and Modelling 29, 382-395, 2010.
- S. Thangapandian, S. John, S. Sakkiah and K.W. Lee, Ligand and Structure Based Pharmacophore Modeling to Facilitate Novel Histone Deacetylase 8 Inhibitor Design. European Journal of Medicinal Chemistry 45,4409-4417, 2010.(accepted as it is)
