Erythritol predicted to inhibit permeation of water and solutes through the conducting pore of P. falciparum aquaporin.

ABSTRACT: Plasmodium falciparum aquaporin (PfAQP) is a multifunctional channel protein in the plasma membrane of the malarial parasite that causes the most severe form of malaria infecting more than a million people a year. This channel protein facilitates transport of water and several solutes across the cell membrane. In order to better elucidate the fundamental interactions between PfAQP and its permeants and among the permeants, I conducted over three microseconds in silico experiments of atomistic models of the PfAQP-membrane system to obtain the free-energy profiles of five permeants (erythritol, water, glycerol, urea, and ammonia) throughout the amphipathic conducting pore of PfAQP. The profiles are analyzed in light of and shown to be consistent with the existent in vitro data. The binding a

SUBMITTER: Chen LY 

PROVIDER: S-EPMC4339505 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature