Structure-Function Study of Quinazolinone-Based Vitronectin Receptor (αVβ3) Antagonists: Computer-Assisted Analysis of Ligand-Receptor Interactions

Author(s): Edward C. Lawson, William A. Kinney, Michael J. Costanzo, William J. Hoekstra, Jack A. Kauffman, Diane K. Luci, Rosemary Santulli, Brett A. Tounge, Stephen C. Yabut, Patricia Andrade-Gordon

Journal Name: Letters in Drug Design & Discovery

Volume 1 , Issue 1 , 2004

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Abstract:

Modification of the pendant functionalities on a quinazolinone scaffold led to potent antagonist activity for integrin αVβ3 with selectivity over integrin αIIbβ3. Various guanidine mimetics, linkers, and arylsulfonamides were investigated to optimize the series. A molecular model was constructed based on a published X-ray structure and used to analyze ligand-receptor interactions. We identified key interactions for the quinazolinone and arylsulfonamide groups that may explain the changes in potency in the structure-function study.

Keywords: Quinazolinone, Vitronectin Receptor, Ligand-Receptor

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Article Details

VOLUME: 1
ISSUE: 1
Year: 2004
Page: [14 - 18]
Pages: 5
DOI: 10.2174/1570180043485644

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