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

8 Citations (Scopus)

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

Fingerprint

Retinol-Binding Proteins
Ligands
Fenretinide
Vitamin A
Software
Atoms
Predictive analytics

ASJC Scopus subject areas

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

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

HINT predictive analysis of binding between retinol binding protein and hydrophobic ligands. / Marabotti, Anna; Balestreri, Lara; Cozzini, Pietro; Mozzarelli, Andrea; Kellogg, Glen E.; Abraham, Donald J.

In: Bioorganic and Medicinal Chemistry Letters, Vol. 10, No. 18, 2000, p. 2129-2132.

Research output: Contribution to journalArticle

Marabotti, A, Balestreri, L, Cozzini, P, Mozzarelli, A, Kellogg, GE & Abraham, DJ 2000, 'HINT predictive analysis of binding between retinol binding protein and hydrophobic ligands', Bioorganic and Medicinal Chemistry Letters, vol. 10, no. 18, pp. 2129-2132. https://doi.org/10.1016/S0960-894X(00)00414-5
Marabotti, Anna ; Balestreri, Lara ; Cozzini, Pietro ; Mozzarelli, Andrea ; Kellogg, Glen E. ; Abraham, Donald J. / HINT predictive analysis of binding between retinol binding protein and hydrophobic ligands. In: Bioorganic and Medicinal Chemistry Letters. 2000 ; Vol. 10, No. 18. pp. 2129-2132.
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