Int J Bioinform Res Appl. 2009;5(2):154-62.
Structural studies of PNP from Toxoplasma gondii
Vivan AL, Caceres RA, Basso LA, Santos DS; Walter F. de Azevedo Jr.
Genetics and Molecular Biology, Federal University of Rio Grande do Sul, Av. Bento Goncalves, 9500, Porto Alegre, RS, 91501-970 Brazil.
Toxoplasmosis is a chronic infection that affects approximately 30% of the human population and is caused by Toxoplasma gondii. Determination of the three dimensional structure of PNP from T. gondii could provide new insights into the purine binding site and sub-strate binding, and could be used for future rational design of new drugs against toxoplasmosis. This work describes the molecular model for three dimensional structure of PNP from T.gondii using, as a template, PNP from Plasmodium falciparum. Molecular dynamics showed that this model is stable during a trajectory of 3 ns.
PMID: 19324601 [PubMed - in process]