Synthesis and in silico analysis of the quantitative structure–activity relationship of heteroaryl–acrylonitriles as AChE inhibitors

2016 ◽  
Vol 59 ◽  
pp. 45-60 ◽  
Author(s):  
Pedro De-la-Torre ◽  
Adriana V. Treuer ◽  
Margarita Gutierrez ◽  
Horacio Poblete ◽  
Jans H. Alzate-Morales ◽  
...  
Keyword(s):  
In Silico ◽  
In Silico Analysis ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Ache Inhibitors ◽  
Structure Activity ◽  
Relationship Of ◽  
Silico Analysis

Quantitative Structure-Activity Relationship of Morita-Baylis-Hillman Adducts with Leishmanicidal Activity

2011 ◽  
Vol 66 (3-4) ◽  
pp. 136-142
Author(s):  
Rodrigo Octavio M. A. de Souza ◽  
José C. Barros ◽  
Joaquim F. M. da Silva ◽  
Octavio A. C. Antunes
Keyword(s):  
Molecular Orbital ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Orbital Energy ◽  
Quantitative Structure ◽  
Leishmanicidal Activity ◽  
Structure Activity ◽  
Relationship Model ◽  
Relationship Of

A quantitative structure-activity relationship model for Morita-Baylis-Hillman adducts with leishmanicidal activities was developed which correlates molecular orbital energy and dipole with percentage in the promastigote stage

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