title: The degradation pathways in chloride medium of the third generation anticancer drug oxaliplatin.
abstract: We have investigated the degradation reactions, in chloride medium, of the third generation drug oxaliplatin using density functional theory. Our calculations confirm that this drug should be administered in chloride free solutions, and we have ascertained the main biodegradation products upon chloride binding, which are essential to establish the active compounds reacting with DNA. In addition, detailed knowledge of these platinum complexes is fundamental for correct elimination procedures in wastewater treatments.
authors.affiliation: Dipartimento di Chimica, Università della Calabria - Via P. Bucci, cubo 14c, 87036 Arcavacata di Rende (CS), Centro di Calcolo ad Alte Prestazioni per Elaborazioni Parallele e Distribuite - Centro d'Eccellenza MIUR, Italy.
authors.forename: Marta E
authors.initials: ME
authors.lastname: Alberto
authors.forename: Maria F
authors.initials: MF
authors.lastname: Lucas
authors.forename: Matej
authors.initials: M
authors.lastname: Pavelka
authors.forename: Nino
authors.initials: N
authors.lastname: Russo
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry* / Q000378:metabolism; D002712:Chlorides / Q000737:chemistry*; D009944:Organoplatinum Compounds / Q000737:chemistry* / Q000378:metabolism; D000077150:Oxaliplatin; D013816:Thermodynamics
chemical_list: D000970:Antineoplastic Agents; D002712:Chlorides; D009944:Organoplatinum Compounds; D000077150:Oxaliplatin