Paper Citing NAMD - Abstract
Colizzi, Francesco; Recanatini, Maurizio; Cavalli, Andrea
Mechanical Features of Plasmodium falciparum Acyl Carrier Protein in the Delivery of Substrates
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 48:2289-2293, DEC 2008
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 indepth Understanding the biosynthetic machinery. A steered molecular dynamics approach has been applied to shed light oil the putative delivery pathway, suggesting the small alpha 3- 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.
