Simulated Docking Reveals Putative Channels for the Transport of Long Chain Fatty Acids in Vibrio Cholera

Fatty acids (FA) play an important role in biological functions, such as membrane homeostasis, metabolism, and as signaling molecules. FadL is the only known protein that
uptakes long chain fatty acids in bacteria, and until recently it was believed that only FA of 18 carbons could be uptaken by bacteria. To investigate the uptake of FA by Vibrio
cholerae, the causative agent of cholera, sequences of the homologs of FadL were found and folded into tertiary structures. These structures were placed in membrane systems and simulated using molecular dynamic software. The trajectories of each simulation were then docked to find FA binding sites and mapped to find the FA transport pathways of the selected homologs.

Author(s): Andrew Turgeson

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