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 journalArticle

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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  • Cite this

    Marabotti, A., Balestreri, L., Cozzini, P., Mozzarelli, A., Kellogg, G. E., & Abraham, D. J. (2000). HINT predictive analysis of binding between retinol binding protein and hydrophobic ligands. Bioorganic and Medicinal Chemistry Letters, 10(18), 2129-2132. https://doi.org/10.1016/S0960-894X(00)00414-5