title: Mechanical features of Plasmodium falciparum acyl carrier protein in the delivery of substrates.
abstract: The Acyl Carrier Protein (ACP) is a key element in the biosynthesis of fatty acids being responsible for the acyl group shuttling and delivery within a series of related enzymes. The molecular mechanism of the delivery process is poorly known, and its characterization is essential for in-depth understanding the biosynthetic machinery. A steered molecular dynamics approach has been applied to shed light on the putative delivery pathway, suggesting the small alpha3-helix act as gatekeeper for the transfer process. Preventing the delivery mechanism would be an innovative strategy for the development of pathway-based antimalarial compounds.
authors.forename: Francesco
authors.initials: F
authors.lastname: Colizzi
authors.forename: Maurizio
authors.initials: M
authors.lastname: Recanatini
authors.forename: Andrea
authors.initials: A
authors.lastname: Cavalli
mesh_terms: D000213:Acyl Carrier Protein / Q000737:chemistry* / Q000378:metabolism*; D000818:Animals; D001693:Biological Transport, Active; D003198:Computer Simulation; D054889:Fatty Acid Synthase, Type II / Q000378:metabolism; D008958:Models, Molecular; D010963:Plasmodium falciparum / Q000378:metabolism*; D011487:Protein Conformation; D015800:Protozoan Proteins / Q000737:chemistry* / Q000378:metabolism*; D013816:Thermodynamics
chemical_list: D000213:Acyl Carrier Protein; D015800:Protozoan Proteins; D054889:Fatty Acid Synthase, Type II