Title : Characterization of the PON1 active site using modeling simulation, in relation to PON1 lactonase activity.

Pub. Date : 2008 Aug 1

PMID : 18572410






5 Functional Relationships(s)
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1 PON1 hydrolyzes organophosphates, arylesters and lactones, whereas the lactones activity is assumed as the physio/pathological one. Lactones paraoxonase 1 Homo sapiens
2 Based on such calculations the ligands-PON1 interactions were characterized, and relating lactones rate of hydrolysis revealed an inverse correlation with the docking energy of the ligands-PON1 complex, and a direct correlation with the lactone side chain length. Lactones paraoxonase 1 Homo sapiens
3 Based on such calculations the ligands-PON1 interactions were characterized, and relating lactones rate of hydrolysis revealed an inverse correlation with the docking energy of the ligands-PON1 complex, and a direct correlation with the lactone side chain length. Lactones paraoxonase 1 Homo sapiens
4 In conclusion, this study characterized the PON1 possible active site and proposes a tool which may make it possible to envisage the structure of potential endogenous and exogenous lactones such as the PON1 ligand. Lactones paraoxonase 1 Homo sapiens
5 In conclusion, this study characterized the PON1 possible active site and proposes a tool which may make it possible to envisage the structure of potential endogenous and exogenous lactones such as the PON1 ligand. Lactones paraoxonase 1 Homo sapiens