Abstract
One hundred seven 2-arylquinolin-4-amines were assayed in vitro for inhibition of the immunostimulatory effect of oligodeoxynucleotides containing a CpG-motif. The compounds are functionalized with various basic and non-basic groups at the aryl moiety and at the amino substituent of the quinolin-4-amine, and some of them contain an additional substituent at position 6 or 7 of the quinoline. Activities of these antagonists, expressed as EC50 values, range from 0.2 to 200 nM. A statistically significant structure-activity correlation was obtained for the Fujita-Ban variant of the classical Free-Wilson analysis. The CoMFA results derived from several models consistently indicate that electrostatic interactions of the molecules with a biological receptor contribute to biological activities to a greater extent than steric effects.
Original language | English (US) |
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Pages (from-to) | 324-332 |
Number of pages | 9 |
Journal | Bioorganic and Medicinal Chemistry |
Volume | 15 |
Issue number | 1 |
DOIs | |
State | Published - Jan 1 2007 |
Keywords
- CoMFA
- CpG
- QSAR
- Quinolines
- TLR-9