|
KMID : 1023620060300010013
|
|
Reproductive and Developmental Biology
2006 Volume.30 No. 1 p.13 ~ p.19
|
|
|
The Search of Pig Pheromonal Odorants for Biostimulation Control System Technologies: III. Comparative Molecular Field Analysis (CoMFA) on Binding Affinities between Ligands of 2-(Cyclohexyloxy) Tetrahydrofurane Derivatives and Porcine Odorant Binding Protein
|
|
Seong Nak-Do
Park Chang-Sik
Jeong Hoon-Sung
Seong Min-Kyu
|
|
|
Abstract
|
|
|
|
To search of new porcine pheromonal odorants for biostimulation control system technologies to improve reproductive efficiency in livestock species, the comparative molecular field analysis (CoMFA) for binding affinity constant between porcine odorant binding protein (pOBP) and ligands of odorant 2-(cyclohexyloxy) tetrahydrofurane derivatives as substrate molecule was conducted and discussed. In the optimized CoMFA model AIV with chirality in substrate molecule and atom based fit alignment (A) of odorants, the statistical results showed the best predictability of the binding affinities based on the LOO cross-validated value and non-cross-validated conventional coefficient . the binding affinity constants exhibited a good correlation with steric (40.8%), electrostatic (14.6%) and hydrophobic (44.6%) factors of the substrate molecules. from the analytical results of the contour maps, which may give us some valuable informations to the modification of odorants for effective binding affinity.
|
|
|
KEYWORD
|
|
|
Porcine odorant binding protein, 2-(cyclohexyloxy) tetrahydrofuranes, Binding affinity constants, CoMFA model
|
|
|
FullTexts / Linksout information
|
|
|
|
|
|
Listed journal information
|
|
|