Application of desirability-based multi(bi)-objective optimization in the design of selective arylpiperazine derivates for the 5-HT1A serotonin receptor

A. Machado, E. Tejera, M. Cruz-Monteagudo, I. Rebelo

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

18 Citas (Scopus)

Resumen

The multiobjective optimization technique based on the desirability estimation of several interrelated responses (MOOP-DESIRE) has been recently applied to quantitative structure-activity relationship (QSAR) studies. However, the advantage of applying this new methodology to the study of selectivity and affinity to competitive targets has been little explored. We used the MOOP-DESIRE methodology and a variation of this, to study the arylpiperazine derivates that could interact with 5-HT1A and 5-HT2A, serotonin receptor subtypes with the objective of designing more selective molecules for the 5-HT1A receptor. We did show that the model results are in agreement with the available pharmacophore descriptions, guaranteeing an appropriate structural correlation and proving the methodology, as a useful tool for the important problem of selective drug design.

Idioma originalInglés
Páginas (desde-hasta)5045-5054
Número de páginas10
PublicaciónEuropean Journal of Medicinal Chemistry
Volumen44
N.º12
DOI
EstadoPublicada - dic. 2009
Publicado de forma externa

Huella

Profundice en los temas de investigación de 'Application of desirability-based multi(bi)-objective optimization in the design of selective arylpiperazine derivates for the 5-HT1A serotonin receptor'. En conjunto forman una huella única.

Citar esto