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Design, Synthesis, Binding and Docking-Based 3D-QSAR Studies of 2-Pyridylbenzimidazoles-A New Family of High Affinity CB1 Cannabinoid Ligands

Authordc.contributor.authorMella Raipán, Jaime A. 
Authordc.contributor.authorLagos, Carlos F. es_CL
Authordc.contributor.authorRecabarren Gajardo, Gonzalo Iván es_CL
Authordc.contributor.authorEspinosa Bustos, Christian es_CL
Authordc.contributor.authorRomero Parra, Javier es_CL
Authordc.contributor.authorPessoa Mahana, Hernán es_CL
Authordc.contributor.authorIturriaga-Vásquez, Patricio es_CL
Authordc.contributor.authorPessoa Mahana, Carlos David es_CL
Admission datedc.date.accessioned2014-01-28T15:08:25Z
Available datedc.date.available2014-01-28T15:08:25Z
Publication datedc.date.issued2013
Cita de ítemdc.identifier.citationMolecules 2013, 18, 3972-4001en_US
Identifierdc.identifier.otherdoi:10.3390/molecules18043972
Identifierdc.identifier.urihttp://repositorio.uchile.cl/handle/2250/121778
General notedc.descriptionArtículo de publicación ISIen_US
Abstractdc.description.abstractA series of novel 2-pyridylbenzimidazole derivatives was rationally designed and synthesized based on our previous studies on benzimidazole 14, a CB1 agonist used as a template for optimization. In the present series, 21 compounds displayed high affinities with K-i values in the nanomolar range. JM-39 (compound 39) was the most active of the series (K-iCB1 = 0.53 nM), while compounds 31 and 44 exhibited similar affinities to WIN 55212-2. CoMFA analysis was performed based on the biological data obtained and resulted in a statistically significant CoMFA model with high predictive value (q(2) = 0.710, r(2) = 0.998, r(pred)(2) = 0.823).en_US
Lenguagedc.language.isoen_USen_US
Type of licensedc.rightsAttribution-NonCommercial-NoDerivs 3.0 Chile*
Link to Licensedc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/*
Keywordsdc.subjectcannabinoiden_US
Títulodc.titleDesign, Synthesis, Binding and Docking-Based 3D-QSAR Studies of 2-Pyridylbenzimidazoles-A New Family of High Affinity CB1 Cannabinoid Ligandsen_US
Document typedc.typeArtículo de revistaen_US


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Except where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivs 3.0 Chile