HINT predictive analysis of binding between retinol binding protein and hydrophobic ligands

Anna Marabotti, Lara Balestreri, Pietro Cozzini, Andrea Mozzarelli, Glen E. Kellogg, Donald J. Abraham

Research output: Contribution to journalArticlepeer-review

Abstract

The interaction between the retinol binding protein and four ligands was evaluated using HINT, a software based on experimental LogP values of individual atoms. A satisfactory correlation was found between the HINT scores and the experimental dissociation constants of three of the ligands, fenretinide, N-ethylretinamide and all-trans retinol, despite their hydrophobic nature. A prediction is made for the binding affinity of the fourth ligand, axerophtene, not yet determined in solution. (C) 2000 Elsevier Science Ltd.

Original languageEnglish
Pages (from-to)2129-2132
Number of pages4
JournalBioorganic and Medicinal Chemistry Letters
Volume10
Issue number18
DOIs
Publication statusPublished - 2000

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Biology
  • Organic Chemistry
  • Drug Discovery
  • Pharmaceutical Science

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