A New 3D-Descriptor of Amino Acids and Its Application in Quantitative Structure Activity Relationship of Peptide Drugs

2007 ◽  
Vol 23 (01) ◽  
pp. 37-43
Author(s):  
TONG Jian-Bo ◽  
◽  
◽  
ZHANG Sheng-Wan
Keyword(s):  
Amino Acids ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Peptide Drugs ◽  
Structure Activity ◽  
Relationship Of ◽  
3D Descriptor

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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