Emmanuel W.Smith

Emmanuel W. Smith

Postdoctoral Scholar Research, College Of Medicine Molecular Medicine

Research Assistant, Molecular Medicine, University of South Florida

Contact Info 12901 Bruce B. Downs Blvd ,MDC07
Tampa, FL 33612

Academic Email: esmith3@health.usf.edu

Academic Phone: (813) 396-9188


  • PhD, Medical Sciences, University of South Florida, 2014
  • MS, Molecular Medicine, University of South Florida, 2012
  • BS, Biology, University of South Florida, 2009

Research Interests

  • Our lab focuses on structure-based drug discovery through the use of X-ray crystallography and molecular docking. My main focus has been on chemokine proteins CXCL12 and CCL21 and their implication in cancer metastasis, but also on P.aeruginosa proteins LpxA and LpxD.
  • X-ray crystallography is a tool used to determine the atomic and molecular structure of protein crystals. This provides invaluable information about the protein, such as structural characterization of active sites. Once an active site is characterized, a rational drug design approach can be used.
  • Molecular docking is a computational tool that can be used to predict the binding orientation of small molecules to proteins. This can be used to study possible conformations a molecule might take in a protein active site, but can also be used to computationally screen millions of compounds in search of potential drug candidates.

Recent Publications

  • Jehle, K.Cato, L.Neeb, A.Muhle-Goll, C.Jung, N.Smith, EW.Buzon, V.Carbó, LR.Estébanez-Perpiñá, E.Schmitz, K.Fruk, L.Luy, B.Chen, Y.Cox, MB.Bräse, S.Brown, M.Cato, AC. Coregulator control of androgen receptor action by a novel nuclear receptor-binding motif. The Journal of biological chemistry. 289(13) : 8839-51, 2014. http://www.ncbi.nlm.nih.gov/pubmed/24523409
  • Smith, E.Liu, Y.Getschman, AE.Peterson, F.Ziarek, JJ.Li, R.Volkman, BF.Chen, Y. Structural analysis of a novel small molecule ligand bound to the CXCL12 chemokine. Journal of medicinal chemistry. , 2014. http://www.ncbi.nlm.nih.gov/pubmed/25356720
  • Hung, MS.Xu, Z.Chen, Y.Smith, E.Mao, JH.Hsieh, D.Lin, YC.Yang, CT.Jablons, DM.You, L. Hematein, a casein kinase II inhibitor, inhibits lung cancer tumor growth in a murine xenograft model. International journal of oncology. 43(5) : 1517-22, 2013. http://www.ncbi.nlm.nih.gov/pubmed/24008396
  • Nichols, DA.Jaishankar, P.Larson, W.Smith, E.Liu, G.Beyrouthy, R.Bonnet, R.Renslo, AR.Chen, Y. Structure-based design of potent and ligand-efficient inhibitors of CTX-M class A β-lactamase. Journal of medicinal chemistry. 55(5) : 2163-72, 2012. http://www.ncbi.nlm.nih.gov/pubmed/22296601
  • Ziarek, JJ.Liu, Y.Smith, E.Zhang, G.Peterson, FC.Chen, J.Yu, Y.Chen, Y.Volkman, BF.Li, R. Fragment-based optimization of small molecule CXCL12 inhibitors for antagonizing the CXCL12/CXCR4 interaction. Current topics in medicinal chemistry. 12(24) : 2727-40, 2012. http://www.ncbi.nlm.nih.gov/pubmed/23368099