- Aqueous Solubility Enhancement for Bioassays of Insoluble Inhibitors and QSPR Analysis: A TNF-α Study.
Aqueous Solubility Enhancement for Bioassays of Insoluble Inhibitors and QSPR Analysis: A TNF-α Study.
SLAS discovery : advancing life sciences R & D (2017-06-07)
Anthi Mettou, Christos Papaneophytou, Georgia Melagraki, Anna Maranti, Fotini Liepouri, Polyxeni Alexiou, Athanasios Papakyriakou, Elias Couladouros, Elias Eliopoulos, Antreas Afantitis, George Kontopidis
PMID28586633
ABSTRACT
The aim of this study is to improve the aqueous solubility of a group of compounds without interfering with their bioassay as well as to create a relevant prediction model. A series of 55 potential small-molecule inhibitors of tumor necrosis factor-alpha (TNF-α; SPD304 and 54 analogues), many of which cannot be bioassayed because of their poor solubility, was used for this purpose. The solubility of many of the compounds was sufficiently improved to allow measurement of their respective dissociation constants (K
MATERIALS