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Title:Advances in high-throughput screening: better compounds, novel targets, enhanced sensors
Author(s):Flood, Timothy
Director of Research:Hergenrother, Paul J.
Doctoral Committee Chair(s):Hergenrother, Paul J.
Doctoral Committee Member(s):Zimmerman, Steven C.; Cunningham, Brian T.; Baranger, Anne M.
Department / Program:Chemistry
Discipline:Chemistry
Degree Granting Institution:University of Illinois at Urbana-Champaign
Degree:Ph.D.
Genre:Dissertation
Subject(s):high-throughput screening (HTS)
drug discovery
natural products
chemical diversity
screening collections
chemoinformatics
cheminformatics
Tanimoto similarity
molecular properties
RNA
RNA binding
myotonic dystrophy
type 1 myotonic dystrophy (DM1)
MBNL1
biomolecular interactions
biosensors
protein-ligand interactions
estrogen receptor
estradiol
external cavity laser
photonic crystal
X-linked inhibitor of apoptosis protein (XIAP)
SM-164
Abstract:High throughput screening (HTS) is the dominant force in modern drug discovery. Through the evaluation of large structure collections, novel drug leads can be rapidly assessed for modulation of medicinally-relevant biological targets. This occurs through the interplay of three intrinsically linked facets, namely A) the chemical collections being screened, B) the biomolecular targets against which the compounds are assayed, and C) the technologies employed in the screening process. In this multipronged treatment, each of the three above mentioned concepts will be explored. Chapter 2 will explore chemoinformatics methods for quantifying structural complexity and diversity in large screening libraries. Chapter 3 will describe an optical biosensor-based assay for inhibitors of the RNA-protein binding interaction responsible for type 1 myotonic dystrophy (DM1), a hereditary degenerative disorder. Finally, Chapter 4 will explore the limits of small-molecule detection in a novel laser-based optical biosensor technology. Taken together, these three stories encompass the full range of HTS concepts and offer a glimpse into the future of drug discovery.
Issue Date:2013-05-28
URI:http://hdl.handle.net/2142/44780
Rights Information:Copyright 2013 Timothy A. Flood, Jr.
Date Available in IDEALS:2013-05-28
2015-05-28
Date Deposited:2013-05


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