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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 35, Number 1
BKCSDE 35(1)
January 20, 2014 

 
Title
Darapladib Binds to Lipoprotein-Associated Phospholipase A2 with Meaningful Interactions
Author
Kyoung-Rok Do, Chul Kim, Byungha Chang, Seong Soo A. An, Jae-Min Shin, Sang-Jun Yea, Mi-Young Song, Kyoung Tai No, Jee-Young Lee*
Keywords
Darapladib, Lp-PLA2, Atherosclerosis, Docking
Abstract
Lipoprotein-associated phospholipase A2 (Lp-PLA2) is a crucial enzyme in atherosclerosis as a potential drug target. The most remarkable Lp-PLA2 inhibitory drug is Darapladib. We determined the binding pose of Darapladib to Lp-PLA2 through docking study. Darapladib formed two hydrogen bonding interactions with the side chain of Tyr160 and Gln352 and several pi-pi interactions with aromatic and aliphatic hydrophobic residues of Lp-PLA2. It is known that the dietylpropan-amine moiety of Darapladib has influence on the improvement of its oral bioavailability and we supposed this in our docking results.
Page
250 - 252
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