University of Illinois Urbana-Champaign

Rational Design of Chemotherapeutic Agents by Quantitative Structure-Activity Relationships and Solution NMR Methods for High Resolution Protein Structure Refinement

Szabo, Christina Miki

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https://hdl.handle.net/2142/84058

Description

Title
Rational Design of Chemotherapeutic Agents by Quantitative Structure-Activity Relationships and Solution NMR Methods for High Resolution Protein Structure Refinement
Author(s)
Szabo, Christina Miki
Issue Date
2001
Doctoral Committee Chair(s)
Oldfield, Eric
Department of Study
Chemistry
Discipline
Chemistry
Degree Granting Institution
University of Illinois at Urbana-Champaign
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
Biophysics, General
Language
eng
Abstract
Second, work towards the study of solution protein structure refinement methods by high-resolution multi-dimensional nuclear magnetic resonance (NMR) spectroscopy is discussed. Uniformly 13C, 15N-labeled Saccharomyces cerevisiae iso-1 cytochrome c was overexpressed in Escherichia coli and purified in its ferric form for NMR studies. The chemical shifts of most of the 1H, 13C, and 15N nuclei were assigned for future analyses of the incorporation of 13Calpha chemical shift, 13Calpha chemical shift anisotropy, and residual dipolar coupling in the structure refinement calculation. The ultimate goal is the determination of a refinement method that includes the most effective combination of the types of restraints that will yield the most highly resolved protein structures. This will then have applications to structure-based methods of drug design, which rely upon the structure of the target enzyme and will complement the ligand-based method referred to above.
Graduation Semester
2001
Type of Resource
text
Permalink
http://hdl.handle.net/2142/84058

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