Home Research Molecular Properties of Heterocyclic Compounds Azoles Eur. J. Med. Chem. 46, 1439-1447 (2011)

Eur. J. Med. Chem. 46, 1439-1447 (2011)

R. M. Claramunt, C. Lopez, A. Lopez, C. Perez-Medina, M. Perez-Torralba, I. Alkorta, J. Elguero, G. Escames, D. Acuna-Castroviejo

DOI: 10.1016/j.ejmech.2011.01.027

Synthesis and biological evaluation of indazole derivatives

The inhibition of neuronal and inducible nitric oxide synthases (nNOS and iNOS) by a series of 36 indazoles has been evaluated, showing that most of the assayed derivatives are better iNOS than nNOS inhibitors. A parabolic model relating the iNOS inhibition percentage with the difference, Erel, between stacking and apical interaction energies of indazoles with the active site of the NOS enzyme has been established.