Darapladib Binds to Lipoprotein-Associated Phospholipase A2 with Meaningful Interactions

Bulletin of the Korean chemical society

Kyoung Tai No¹  Chul Kim¹  Kyoung-Rok Do¹  Byungha Chang¹  Mi-Young Song¹  Sang-Jun Yea¹  Seong Soo A. An¹  Jae-Min Shin¹  Jee-Young Lee¹ 

关键词: Darapladib;    Lp-PLA2;    Atherosclerosis;    Docking;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

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.

【 授权许可】

Unknown