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.
Colizzi F., Recanatini M., Cavalli A. (2008). Mechanical features of Plasmodium falciparum acyl carrier protein in the delivery of substrates. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 48, 2289-2293 [10.1021/ci800297v].
Mechanical features of Plasmodium falciparum acyl carrier protein in the delivery of substrates
COLIZZI, FRANCESCO;RECANATINI, MAURIZIO;CAVALLI, ANDREA
2008
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.