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Susan Lynne McGovern
Researcher at Northwestern University
Publications - 39
Citations - 3471
Susan Lynne McGovern is an academic researcher from Northwestern University. The author has contributed to research in topics: Medicine & Internal medicine. The author has an hindex of 8, co-authored 9 publications receiving 3257 citations.
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Journal ArticleDOI
A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening
TL;DR: High-throughput and virtual screening is widely used to discover novel leads for drug design, and aggregate formation appears to explain the activity of many nonspecific inhibitors and may account for theActivity of many promiscuous screening hits.
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A specific mechanism of nonspecific inhibition.
TL;DR: Observations suggest that the aggregates formed by promiscuous compounds reversibly sequester enzyme, resulting in apparent inhibition, and suggest a simple method to identify or reverse the action of aggregate-based inhibitors, which appear to be widespread.
Journal ArticleDOI
Molecular Docking and High-Throughput Screening for Novel Inhibitors of Protein Tyrosine Phosphatase-1B
Thompson N. Doman,Susan Lynne McGovern,Bryan J. Witherbee,Thomas P. Kasten,Ravi G. Kurumbail,William C. Stallings,Daniel T. Connolly,Brian K. Shoichet +7 more
TL;DR: The diversity of both hit lists and their dissimilarity from each other suggest that docking and HTS may be complementary techniques for lead discovery.
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Identification and prediction of promiscuous aggregating inhibitors among known drugs.
TL;DR: Surprisingly, at high enough concentrations, some drugs can aggregate and act promiscuously, suggesting that aggregation may be common among small molecules at micromolar concentrations, at least in biochemical buffers.
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Lead discovery using molecular docking
TL;DR: As the structures of more and more proteins and nucleic acids become available, molecular docking is increasingly considered for lead discovery and the 'drug-likeness' and specificity of docking hits is also being examined.