Projects per year
Personal profile
Research interests
Research Expertise:
Computer-aided Drug Design | Molecular Dynamics Simulation | Molecular Modeling
The long-term goal of my research program is to gain mechanic insights into the structure, dynamics and function of pharmacologically important biomolecules. The insights enable rational drug design using a hierarchical virtual screening protocol including docking, molecular dynamics simulation, and free energy perturbation methods. My current research aims to: 1) develop novel cancer drugs that target DNA/RNA-quadruples, transporter (ABCB1) and kinase (MLK); 2) develop novel analgesic and anti-drug-addiction agents that target G-protein coupled receptors (GPCR) (Dopamine, TAAR1, Opioid) membrane receptors; 3) develop novel anti-virus drugs against herpes virus entry (gD); 4) develop diabetes drug that simultaneously targets inflammation (PPAR).
Honors and Awards:
2010, Travel Award, the IBBI (Isolated Biomolecules and Biomolecular Interactions) conference, Berlin, Germany
2004, Named to the Dean’s list in recognition of Scholastic Excellence, University of Delaware
1999, Excellent Thesis, Xiamen University
Member of:
American Chemical Society (www.acs.org)
Education/Academic qualification
Doctor of Philosophy, doctorate, University of Delaware
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Collaborations and top research areas from the last five years
Projects
- 2 Finished
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Joint Computational-Experimental Discovery of novel HAC6 inhibitors for treating triple-negative breast cancer (TNBC)
Wu, C. (PI)
New Jersey Health Foundation, Inc. (NJHF)
2/15/24 → 2/14/25
Project: Other project
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Binding Mechanism of the Active Form of Molnupiravir to RdRp of SARS-CoV-2 and Designing Potential Analogues: Insights from Molecular Dynamics Simulations
Carbone, J., Paradis, N. J., Brunt, D. & Wu, C., Oct 8 2024, In: ACS Omega. 9, 40, p. 41583-41598 16 p.Research output: Contribution to journal › Article › peer-review
Open Access2 Scopus citations -
Computational analysis of natural compounds as potential phosphodiesterase type 5A inhibitors
Uba, A. I., Paradis, N. J., Wu, C. & Zengin, G., Dec 2024, In: Computational Biology and Chemistry. 113, 108239.Research output: Contribution to journal › Article › peer-review
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Computational study of binding of oseltamivir to neuraminidase mutants of influenza A virus
Arba, M., Wahyuli, S., Wahyudi, S. T., Karton, A. & Wu, C., Feb 2024, In: Journal of Applied Pharmaceutical Science. 14, 2, p. 239-254 16 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Discovery of novel inhibitors of histone deacetylase 6: Structure-based virtual screening, molecular dynamics simulation, enzyme inhibition and cell viability assays
Uba, A. I., Hryb, M., Singh, M., Bui-Linh, C., Tran, A., Atienza, J., Misbah, S., Mou, X. & Wu, C., Feb 1 2024, In: Life Sciences. 338, 122395.Research output: Contribution to journal › Article › peer-review
4 Scopus citations -
Docking-Based Virtual Screening to Identify the Cysteine Protease Falcipain-2 Inhibitors of Plasmodium falciparum
Darmin, W. O. Y. P. N., Arfan, A., Ruslin, R., Wu, C. & Arba, M., Nov 28 2024, In: Molekul. 19, 3, p. 406-416 11 p.Research output: Contribution to journal › Article › peer-review