Nectandra amazonum-Derived Flavonoids as COX-1 Inhibitors: In Vitro and Docking Studies

The ability of eleven known flavonoids isolated from Nectandra amazonum (Lauraceae) was tested for in vitro PGHS (COX) inhibition. All test compounds exhibited a dose dependent activity at different levels, exhibiting selectivity towards COX-1 inhibition. Autodock Vina was used to dock the compound...

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Bibliographic Details
Published in:Natural product communications 2014-05, Vol.9 (5), p.649-652
Main Authors: Valdés-Barrera, Iván Daniel, Cuca-Suarez, Luis Enrique, Coy-Barrera, Ericsson David
Format: Article
Language:English
Subjects:
Binding Sites
Cyclooxygenase 1 - chemistry
Cyclooxygenase Inhibitors - chemistry
Cyclooxygenase Inhibitors - pharmacology
Flavonoids - pharmacology
Lauraceae - chemistry
Models, Molecular
Molecular Docking Simulation
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Summary:The ability of eleven known flavonoids isolated from Nectandra amazonum (Lauraceae) was tested for in vitro PGHS (COX) inhibition. All test compounds exhibited a dose dependent activity at different levels, exhibiting selectivity towards COX-1 inhibition. Autodock Vina was used to dock the compound structures within the active site of the PGHS-1 (PDB: 3N8V). In vitro results showed that chalcone and dihydrochalcone-related compounds exhibited reasonable inhibitory properties (IC50: 1.56-36.5 μM), with good correlation with docking results. Arg120 (or Tyr355) and Ser530 were found to be the key residues to dock the most active flavonoids, indicating such interaction might interfere with the formation of prostaglandin H2 in the active site of COX-1.
ISSN:1934-578X
1555-9475
DOI:10.1177/1934578X1400900515