Integrin Antagonists: A Special Emphasis on Structural Requirements of N-benzoyl-L-biphenylalanines as α4β7 and α4β1 Antagonists

Conclusion: The Open3DQSAR models on both integrins α4β7 and α4β1 were statistically significant. For integrin α4β7 antagonists, the best 3D-QSAR model resulted in an LOO-Q2 of 0.6240 and an R2 Pred of 0.7366 whereas, for integrin α4β1 antagonists, the best model yielded an LOO-Q2 of 0.7487 and an R2 Pred of 0.5366. Important structural features required for higher α4β7 and α4β1 antagonistic activity of N-benzoyl-L-biphenylalanines were highlighted. This study may provide useful information regarding the overall structural aspects of integrins along with better α4β7 antagonists designing approaches in future.
Source: Current Signal Transduction Therapy - Category: Molecular Biology Source Type: research