Chenglong Li's research interests focus on molecular recognition, with a strong application to structure-based computer-aided drug design. He combines molecular modeling, X-ray crystallography and thermodynamic measurements to explore molecular interactions, especially protein-ligand interactions, at both atomic and electronic levels. His current working projects include both computational method development and drug design: 1) development of a novel MLSD (multiple ligand simultaneous docking) strategy for fragment-based drug design; 2) design and discovery of drugs targeting the IL-6/STAT3/Survivin oncogenic pathway for targeted cancer therapy; 3) design and discovery of drugs targeting epigenetic histone arginine methylation enzymes, especially type II prmt5; 4) design and discovery of drugs targeting allosteric site(s) of nAChRs to fight drug addiction.
Mahasenan, K. V., Li, C.
Novel inhibitor discovery through virtual screening against multiple protein conformations generated via ligand-directed modeling: a maternal embryonic leucine zipper kinase example.
J. Chem. Info. & Modeling.,
2012, 52, 1345-1355.
(Impact Factor: 3.822; 5-year IF: 3.722)
- Mahasenan, K. V., Pavlovicz, R. E., Henderson, B. J., Gonzalez-Cestari, T. F., Yi, B., McKay, D. B. and Li, C. Discovery of novel α4β2 neuronal nicotinic receptor modulators through structure-based virtual screening. ACS Med. Chem. Lett., 2011, 2, 855-860.
Pavlovicz, R. E., Henderson, B. J., Bonnell, A. B., Boyd, R. T., McKay, D. B. and Li, C.
Identification of a negative allosteric site on human α4β2 and α3β4 neuronal nicotinic acetylcholine receptors.
PLoS ONE, 2011, 6, e24949.
(Impact Factor: 4.411; 5-year IF: 4.610)
Li, H., Liu, A., Zhao, Z., Xu, Y., Lin, J., Jou, D. and Li, C.
Fragment-based Drug Design and Drug Repositioning Using Multiple Ligand Simultaneous Docking (MLSD): Identifying Celecoxib and Template Compounds as Novel Inhibitors of Signal Transducer and Activator of Transcription 3 (STAT3).
J. Med. Chem.,
2011, 54, 5592-5596.
(Impact Factor: 5.207; 5-year IF: 5.180)
Park, I.-H., and Li, C.
Characterization of Molecular Recognition of STAT3 SH2 Domain Inhibitors through Molecular Simulation.
J. Mol. Recog.,
2011, 24, 254-265.
(Impact Factor: 2.286; 5-year IF: 2.959)
Park, I.-H., and Li, C.
Dynamic Ligand-Induced-Fit Simulation via Enhanced Conformational Samplings and Ensemble Dockings: A Survivin Example.
J. Phys. Chem. B.,
2010, 114, 5144-5153.
(Impact Factor: 3.603; 5-year IF: 4.425)
Li, H. and Li, C.
Multiple Ligand Simultaneous Docking (MLSD): Orchestrated Dancing of Ligands in Binding Sites of Protein.
J. Comp. Chem.,
2010, 31, 2014-2022.
(Impact Factor: 4.050; 5-year IF: 5.041)
Lin, L., Hutzen, B., Li, P.-K., Ball, S., Zuo, M., DeAngelis, S., Foust, E., Sobo, M., Friedman, L., Bhasin, D., Cen, L., Li, C. and Lin, J.
A novel small molecule, LLL12 inhibits STAT3 phosphorylation and activities and exhibits potent growth suppressive activity in human cancer cells.
2010, 12, 39-50.
(Impact Factor: 5.476; 5-year IF: 5.228)
Kumari, V., Farah, M. B., Langer, S. Z., Li, C. and Patil, P. N.
Stereoselectivity of Norepinephrine Enantiomers at Pre- and Post-Junctional Adrenoceptors.
Biogenic Amines: Pharmacological, Neurochemical and Molecular Aspects in the CNS(Book Chapter 12),
Nova Science Publishers, published, December 2009.
(Impact Factor: N/A, book chapter)
Kumari, V. and Li, C.
Comparative Docking Assessment of Glucokinase Interactions with Its Allosteric Activators.
Current Chemical Genomics,
2008, 2, 76-89. (Invited contribution)
(Impact Factor: N/A, new journal)
- 2010-2012 Department of Defense Breast Cancer Idea Grant Award
- 2009-2010 OSUCCC-ACS Institutional Research pilot award
- 2008 Best Poster Award
- 2001-2004 The Department of Defense Breast Cancer Postdoctoral Fellowship
- Postdoctoral, 2005, The Scripps Research Institute
- Postdoctoral, 2002, Burnham Institute for Medical Research
- Ph.D., 2000, Cornell University, Biophysics