Geometry of GPPE binding to picrate and to the urokinase type plasminogen activator.

Abstract

Crystal structure of 2-(4-guanidynephenyl)-1-phenyl-ethanone (GPPE) in two different environments was determined in order to compare the binding geometry of these compound to a simple picrate anion and to protein, urokinase-type plasminogen activator (uPA), which may be treated as a target for anti-cancer drugs. It was shown that the conformation and the hydrogen-bonding formation by GPPE molecule are similar in both environments, but several important differences were discovered and described.

• Authors: Ewa Zesławska, Jörg Stürzebecher, Barbara J Oleksyn
• Journal: Bioorganic & medicinal chemistry letters (Bioorg Med Chem Lett) Vol. 17 Issue 22 Pg. 6212-5 (Nov 15 2007) ISSN: 0960-894X [Print] England
• PMID: 17905583 (Publication Type: Journal Article)

Chemical References

• 2-(4-guanidynephenyl)-1-phenyl-ethanone
• Anions
• Guanidines
• Picrates
• picric acid
• Urokinase-Type Plasminogen Activator

Topics

• Anions
• Binding Sites (drug effects)
• Crystallography, X-Ray
• Guanidines (chemistry, metabolism)
• Hydrogen Bonding
• Models, Molecular
• Molecular Structure
• Picrates (chemistry, metabolism)
• Protein Binding
• Protein Structure, Tertiary
• Urokinase-Type Plasminogen Activator (chemistry, metabolism)