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.
Mechanical features of Plasmodium falciparum acyl carrier protein in the delivery of substrates / Colizzi F.; Recanatini M.; Cavalli A.. - In: JOURNAL OF CHEMICAL INFORMATION AND MODELING. - ISSN 1549-9596. - STAMPA. - 48:(2008), pp. 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.