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Darapladib Binds to Lipoprotein-Associated Phospholipase A2 with Meaningful Interactions
Do, Kyoung-Rok,Kim, Chul,Chang, Byungha,An, Seong Soo A.,Shin, Jae-Min,Yea, Sang-Jun,Song, Mi-Young,No, Kyoung Tai,Lee, Jee-Young Korean Chemical Society 2014 Bulletin of the Korean Chemical Society Vol.35 No.1
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.
Flow Instability of Polyvinyl alcohol)/Dimethyl Sulfoxide Solution under Steady Shear
Do, Sung Yeol,Ryu, Chang Yeol,Lee, Yong Rok,Shim, Jae Jin,Noh, Seok Kyun,Kim, Joon Ho,Joo, Sang Woo,Gal, Yeong Soon,Han, Sung Soo,Lyoo, Won Seok SAGE Publications 2011 Polymers & polymer composites Vol.19 No.6
<P>The effects of solution temperature and molecular weight on the rheological responses of poly(vinyl alcohol) (PVA) semidilute solutions (13 g/dL - 19 g/dL) in dimethyl sulfoxide (DMSO) have been studied using PVA with two different number-average degrees of polymerization (P(n)): 1700 and 4000. For the rheological experiments using dynamic shear, the PVA solution with a P(n) of 1700 showed rather simple Newtonian fluid behaviour, whereas that with P(n) of 4000 exhibited non-Newtonian shear thinning behaviour. Steady shear rheology experiments suggested that the lower P(n) PVA solutions were Newtonian fluids, which is consistent with the dynamic shear rheology results. However, an abrupt decrease of shear viscosity at high shear rates was observed for the higher P(n) PVA solutions at lower temperatures, such as 30 degrees C and 50 degrees C. At higher temperatures of 70 degrees C and 90 degrees C, the higher molecular weight PVA solutions exhibited simple shear thinning behaviour without any further complications of flow instability. The fact that temperature plays a critical role in controlling the observed flow instability of the PVA solutions in DMSO strongly suggests that there exist enhanced inter-chain interactions by hydrogen bonding of PVA chains beyond the chain entanglements, particularly for the higher P(n) PVA semidilute solutions at low temperatures. Therefore, it is important to consider both chain entanglements and hydrogen bonding interactions in order to process PVA solutions without causing undesirable flow instability.</P>