TY - JOUR
T1 - Synthesis and biological evaluation of indazole derivatives
AU - Claramunt, Rosa M.
AU - López, Concepción
AU - López, Ana
AU - Pérez-Medina, Carlos
AU - Pérez-Torralba, Marta
AU - Alkorta, Ibon
AU - Elguero, José
AU - Escames, Germaine
AU - Acuña-Castroviejo, Darío
N1 - Funding Information:
This work has been partially supported by Grants CTQ2007-62113, SAF2005-07991-C02-01 and CTQ2010-16122 ( Ministerio de Ciencia e Innovación, MICINN, Spain ), PI08-1664 ( Instituto de Salud Carlos III, Spain ), and P07-CTS-03135 ( Consejería de Innovación, Ciencia y Empresa, Junta de Andalucía, Spain ). The help of Dr. M a Ángeles García from the NMR laboratory of the UNED is greatly acknowledged.
PY - 2011/4
Y1 - 2011/4
N2 - 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.
AB - 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.
KW - Indazoles
KW - Modeling
KW - iNOS
KW - nNOS
UR - https://www.scopus.com/pages/publications/79952281729
U2 - 10.1016/j.ejmech.2011.01.027
DO - 10.1016/j.ejmech.2011.01.027
M3 - Article
C2 - 21334118
AN - SCOPUS:79952281729
SN - 0223-5234
VL - 46
SP - 1439
EP - 1447
JO - European Journal of Medicinal Chemistry
JF - European Journal of Medicinal Chemistry
IS - 4
ER -