Laboratory of Computational Technologies
Computational tools for data mining and new drug discovery are
being developed within our laboratory. These tools are designed
to exploit the existing and newly generated databases for the purpose
of cancer drug discovery.
Scientific Research Interests: The enormous expansion of
new data in the post-genomic data is anticipated to revolutionize
the future of biological research and modern medicine. Accompanying
this trend is the need to develop advanced computational tools
for methods of data analysis and formulation of new experimental
designs. Computer-supported analytical techniques combined with
interactive and dynamic data visualization tools will be needed
to assist in the goals of discovery, decision making and explanation.
Our research proposes applications of existing, and construction
of newly developed, computational tools for examinations of available
databases generated from the bioinformatics sub-fields of proteomics,
chemoinformatics and structural genomics. This synthesis will provide
an in silico tool for basic research aimed at the discovery, retreival
and analysis of relationships between chemical structure, high-throughput
screening experiments, molecular target surveys, expression datasets
and mutational experiments.
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Credentials
David Covell received his academic training at the University
of Michigan, with degrees in Aerospace Engineering (B.S.E.), Computer
Science(M.S.E.) and Bioengineering(Ph.D.). He came to the National
Cancer Institute as a Staff Fellow in the Laboratory of Computational
and Experimental Biology, where, under the mentorship of Dr. Mones
Berman, he applied mathematical modeling techniques to a wide range
of clinical questions. As a Principal Investigator in the NCI,
his research interests expanded into areas of computation molecular
biology and drug discovery. His current research interests involve
the development of computational tools for novel drug discoveries.
Recent Publications
NCBI PubMed listing of publications by David Covell.
Keskin O, Ji X, Blaszcyk J, Covell DG. Molecular motions and conformational
changes of HPPK Proteins. 2002 Nov 1;49(2):191-205.
Stephen AG, Worthy KM, Towler E, Mikovits JA, Sei S, Roberts P,
Yang QE, Akee RK, Klausmeyer P, McCloud TG, Henderson L, Rein A,
Covell DG, Currens M, Shoemaker RH, Fisher RJ. Identification of
HIV-1 nucleocapsid protein: nucleic acid antagonists with cellular
anti-HIV activity. Biochem Biophys Res Commun. 2002 Sep 6;296(5):1228-37.
Keskin O, Durell SR, Bahar I, Jernigan RL, Covell DG. Relating
molecular flexibility to function: a case study of tubulin. Biophys
J. 2002 Aug;83(2):663-80.
Bai R, Covell DG, Liu C, Ghosh AK, Hamel E. (-)-doliculide, a
new macrocyclic depsipeptide enhancer of actin assembly. J Biol
Chem. 2002 Aug 30;277(35):32165-71.
Wallqvist, A., Rabow, A. A., Shoemaker, R. H., Sausville, E. A,
Covell D. G.: Establishing connections between microarray expression
data and chemotherapeutic cancer pharmacology. Molecular Cancer
Ther. 2002 Mar; 1(5):311-20.
Rabow, A. A., Shoemaker, R. H., Sausville, E. A, Covell D. G.:
Mining the National Cancer Institute's tumor-screening database:
identification of compounds with similar cellular activities. J
Med Chem. 2002 Feb 14;45(4):818-40.
Maynard, A. T. and Covell, D.G.:Reactivity of Zinc Finger Cores
(I): Analysis of Protein Packing and Electrostatic Screening.,
J Am Chem Soc 2001 Feb 14;123(6):1047-58.
Bai, R., Covell, D. G., Pei, X-F, Ewell, J. B., Nguyen, N. Y.,
Brossi, A. and Hamel, E.: Mapping the binding site of colchicinoids
on beta-tubulin: 2-chloroacetyl-2-demethylthiocolchicine covalently
reacts predominately with cysteine 239 and secondly with cysteine
354, J Biol Chem. 2000 Dec 22;275(51):40443-52.
Keskin, O., Bahar, I., Jernigan, R. L., Beutler, J. A., Shoemaker,
R.A., Sausville, E. A. and Covell, D.G.: Characterization of Anticancer
Agents by Their Growth-Inhibitory Activity and Relationships to
Mechanism of Action and Structure., Anticancer Drug Discovery,
15, 79-98, 2000.
Turpin, J. A., Song, Y., Inman, J.K., Huang, M., Wallqvist, A.,
Maynard, A., Covell, D. G., Rice, W. A. and Appella, E.: Synthesis
and Biological Properties of Novel Pyridinioalkanoyl Thioesters
({PATE}) as Anti-{HIV}-1 Agents that Target the Viral Nucleocapsid
Protein Zinc, J. Med. Chem., 42:67-86, 1999.
Maynard, A., Huang, M., Rice, W. G. and Covell, D. G.: Reactivity
of the {HIV}-1 {NC}p7 zinc finger domains from the perspective
of density-functional theory., Proceeding of the National Academy
of Science, 95, 11578-11583, 1998.
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