[KSCI] Korea Science Citation Index Service

http://dx.doi.org/10.5012/bkcs.2014.35.1.250

Darapladib Binds to Lipoprotein-Associated Phospholipase A2 with Meaningful Interactions

Do, Kyoung-Rok (Laboratory of Drug Discovery, Bioinformatics & Molecular Design Research Center)
Kim, Chul (Information Research Center, Korea Institute of Oriental Medicine)
Chang, Byungha (Laboratory of Drug Discovery, Bioinformatics & Molecular Design Research Center)
An, Seong Soo A. (Department of Bionanotechnology, Gachon University)
Shin, Jae-Min (Laboratory of Drug Discovery, Bioinformatics & Molecular Design Research Center)
Yea, Sang-Jun (Information Research Center, Korea Institute of Oriental Medicine)
Song, Mi-Young (Information Research Center, Korea Institute of Oriental Medicine)
No, Kyoung Tai (Laboratory of Drug Discovery, Bioinformatics & Molecular Design Research Center)
Lee, Jee-Young (Laboratory of Drug Discovery, Bioinformatics & Molecular Design Research Center)

Publication Information

Bulletin of the Korean Chemical Society / v.35, no.1, 2014 , pp. 250-252 More about this Journal

Abstract

Lipoprotein-associated phospholipase A2 (Lp- $PLA_2$ ) is a crucial enzyme in atherosclerosis as a potential drug target. The most remarkable Lp- $PLA_2$ inhibitory drug is Darapladib. We determined the binding pose of Darapladib to Lp- $PLA_2$ 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- $PLA_2$ . 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.

Keywords

Darapladib; Lp- $PLA_2$ ; Atherosclerosis; Docking;

Citations & Related Records

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