scholarly journals Cyclohexylcarbamic Acid 3‘- or 4‘-Substituted Biphenyl-3-yl Esters as Fatty Acid Amide Hydrolase Inhibitors:  Synthesis, Quantitative Structure−Activity Relationships, and Molecular Modeling Studies

2004 ◽  
Vol 47 (21) ◽  
pp. 4998-5008 ◽  
Author(s):  
Marco Mor ◽  
Silvia Rivara ◽  
Alessio Lodola ◽  
Pier Vincenzo Plazzi ◽  
Giorgio Tarzia ◽  
...  
Keyword(s):  
Fatty Acid ◽  
Molecular Modeling ◽  
Fatty Acid Amide Hydrolase ◽  
Acid Amide ◽  
Quantitative Structure ◽  
Structure Activity ◽  
Molecular Modeling Studies ◽  
Quantitative Structure Activity Relationships ◽  
Amide Hydrolase ◽  
Fatty Acid Amide

scholarly journals Three-Dimensional Quantitative Structure-Activity Relationships (3D-QSAR) on a Series of Piperazine-Carboxamides Fatty Acid Amide Hydrolase (FAAH) Inhibitors as a Useful Tool for the Design of New Cannabinoid Ligands

2019 ◽  
Vol 20 (10) ◽  
pp. 2510 ◽  
Author(s):  
Lorca ◽  
Valdes ◽  
Chung ◽  
Romero-Parra ◽  
Pessoa-Mahana ◽  
...  
Keyword(s):  
Fatty Acid ◽  
Fatty Acid Amide Hydrolase ◽  
Acid Amide ◽  
Three Dimensional ◽  
3D Qsar ◽  
Quantitative Structure ◽  
Structure Activity ◽  
Quantitative Structure Activity Relationships ◽  
Amide Hydrolase ◽  
Fatty Acid Amide

Fatty Acid Amide Hydrolase (FAAH) is one of the main enzymes responsible for endocannabinoid metabolism. Inhibition of FAAH increases endogenous levels of fatty acid ethanolamides such as anandamide (AEA) and thus consitutes an indirect strategy that can be used to modulate endocannabinoid tone. In the present work, we present a three-dimensional quantitative structure-activity relationships/comparative molecular similarity indices analysis (3D-QSAR/CoMSIA) study on a series of 90 reported irreversible inhibitors of FAAH sharing a piperazine-carboxamide scaffold. The model obtained was extensively validated (q2 = 0.734; r2 = 0.966; r2m = 0.723). Finally, based on the information derived from the contour maps we designed a series of 10 new compounds with high predicted FAAH inhibition (predicted pIC50 of the best-proposed compounds = 12.196; 12.416).

scholarly journals Structure−Activity Relationships of α-Ketooxazole Inhibitors of Fatty Acid Amide Hydrolase

2007 ◽  
Vol 50 (14) ◽  
pp. 3359-3368 ◽  
Author(s):  
Christophe Hardouin ◽  
Michael J. Kelso ◽  
F. Anthony Romero ◽  
Thomas J. Rayl ◽  
Donmienne Leung ◽  
...  
Keyword(s):  
Fatty Acid ◽  
Fatty Acid Amide Hydrolase ◽  
Acid Amide ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Amide Hydrolase ◽  
Fatty Acid Amide

Structure−Activity Relationship of a Series of Inhibitors of Monoacylglycerol HydrolysisComparison with Effects upon Fatty Acid Amide Hydrolase†

2007 ◽  
Vol 50 (20) ◽  
pp. 5012-5023 ◽  
Author(s):  
José Antonio Cisneros ◽  
Séverine Vandevoorde ◽  
Silvia Ortega-Gutiérrez ◽  
Clément Paris ◽  
Christopher J. Fowler ◽  
...  
Keyword(s):  
Fatty Acid ◽  
Fatty Acid Amide Hydrolase ◽  
Acid Amide ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity ◽  
Amide Hydrolase ◽  
Relationship Of ◽  
Fatty Acid Amide
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