engleski

Calculation of pKa of arachidic acid in DOPC phospholipid bilayer

Fatty acids (FA) are important nutrients which regulate the storage and energy resources in living systems. FAs diffuse through phospholipid bilayers and affect the biophysical properties of the mitochondrial inner membrane by increasing H+ conductance across the bilayer. Long-chain FAs activate uncoupling proteins (UCPs) embedded in biological membranes - in particular, FAs increase the UCP1 and UCP2 dependent H+ leak. In order to understand the details of the H+ transport, we considered neutral and deprotonated form of C20:0 arachidic acid and calculated free energy profiles to determine its pKa inside the DOPC bilayer thus shedding more light on this important biophysical phenomena.

long chain fatty acids ; proton tranfer ; pKa

nije evidentirano