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Trinity College Dublin

Structure Activity Relationships in alpha 2 aadrenoceptor antagonists

Research Field: 
Chemistry
Resource Type: 
Storage
Resource Type: 
Compute
Resource Class: 
C
Lead PI: 
Dr Isabel Rozas
Abstract: 
A family of potential alpha 2 adrenoceptor antagonists was previously identified and, in particular, the conformational preferences of these molecules was investigated using the Gaussian program. The molecules were subsequently synthesised and biologically tested. The promising biological results showed definite patterns, the reasons for which could be explained by further computational analysis of the molecules\' properties. This work will aid in the design of future ligands for the alpha 2 adrenoceptor leading to the real possibility of finding a new class of antidepressant with improved efficacy and reduced side effects.
Start Date: 
07/2011
Duration: 
12.00months

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