Theoretical Study of Pseudomonic Acid A and Related Species
The antibiotic mupirocin is potent against Gram-positive bacteria and some Gram-negative organisms such as Haemophilus and Pasteurella. At higher levels, it is a bactericide that is effective against Gram-positive bacteria, including MRSA. It consists of a mixture of pseudomonic acids that are produced by bacterium Pseudomonas fluorescens. Most of the mixture is pseudomonic acid A. Three other related species are present in mupirocin. We report DFT calculations with an accurate basis set on pseudomonic acid A and related species, studying internal rotation barriers, geometries, IR and Raman spectra, and electrostatic potentials in an effort to shed more light on the specific nature of its activity.
Diamond, James J., "Theoretical Study of Pseudomonic Acid A and Related Species" (2014). Post-Grant Reports. Report. Submission 13.