Professional Interests
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.
Recent Publications
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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.
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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.
Neoplasia,
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)
Honors
- 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
Education
- Postdoctoral, 2005, The Scripps Research Institute
- Postdoctoral, 2002, Burnham Institute for Medical Research
- Ph.D., 2000, Cornell University, Biophysics
