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

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

Volume: 1 Issue: 1

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 and Patricia Andrade-Gordon

Affiliation:

Keywords: Quinazolinone, Vitronectin Receptor, Ligand-Receptor

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.

Cite this article as:

Lawson C. Edward, Kinney A. William, Costanzo J. Michael, Hoekstra J. William, Kauffman A. Jack, Luci K. Diane, Santulli Rosemary, Tounge A. Brett, Yabut C. Stephen and Andrade-Gordon Patricia, Structure-Function Study of Quinazolinone-Based Vitronectin Receptor (αVβ3) Antagonists: Computer-Assisted Analysis of Ligand-Receptor Interactions, Letters in Drug Design & Discovery 2004; 1 (1) . https://dx.doi.org/10.2174/1570180043485644

DOI https://dx.doi.org/10.2174/1570180043485644	Print ISSN 1570-1808
Publisher Name Bentham Science Publisher	Online ISSN 1875-628X