3D-QSAR/CoMFA-Based Structure-Affinity/Selectivity Relationships of Aminoalkylindoles in the Cannabinoid CB1 and CB2 Receptors

3D-QSAR/CoMFA-Based Structure-Affinity/Selectivity Relationships of Aminoalkylindoles in the Cannabinoid CB1 and CB2 Receptors

A 3D-QSAR (CoMFA) study was performed in an extensive series of aminoalkylindoles derivatives with affinity for the cannabinoid receptors CB1 and CB2. The aim of the present work was to obtain structure-activity relationships of the aminoalkylindole family in order to explain the affinity and select...

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Bibliographic Details
Main Authors: Jaime Mella-Raipán, Santiago Hernández-Pino, César Morales-Verdejo, David Pessoa-Mahana
Format: Article
Language:English
Published: MDPI AG 2014-03-01
Series:Molecules
Subjects:
cannabinoid
CB1/CB2
aminoalkylindole
molecular modelling
3D-QSAR
Comparative Molecular Field Analysis (CoMFA)
simulated annealing, structure-activity relationships
Online Access:http://www.mdpi.com/1420-3049/19/3/2842

Internet

http://www.mdpi.com/1420-3049/19/3/2842

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