title: A computational mechanistic investigation into the reduction of Pt(iv) prodrugs with two axial chlorides by biological reductants.
abstract: It is widely reported that the Pt(iv) prodrugs with two axial chlorido ligands are reduced by biological reductants via a chloride-bridged inner-sphere mechanism. By contrast, in this contribution, we demonstrate that although this approach might be true for the reductants with sulphur donors, the reduction by ascorbates preferentially occurs via an outer sphere mechanism.
authors.affiliation: Department of Chemistry, Islamic Azad University, Central Tehran Branch, Shahrak Gharb, Tehran, Iran.
authors.forename: Zeinab
authors.initials: Z
authors.lastname: Ejehi
authors.affiliation: Department of Chemistry, Islamic Azad University, Central Tehran Branch, Shahrak Gharb, Tehran, Iran and School of Physical Science (Chemistry), University of Tasmania, Private Bag 75, Hobart TAS 7001, Australia. alirezaa@utas.edu.au.
authors.forename: Alireza
authors.identifier: http://orcid.org/0000-0003-2383-6380
authors.initials: A
authors.lastname: Ariafard
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry*; D001205:Ascorbic Acid / Q000737:chemistry*; D002712:Chlorides / Q000737:chemistry*; D008024:Ligands; D015394:Molecular Structure; D009944:Organoplatinum Compounds / Q000737:chemistry*; D010084:Oxidation-Reduction; D011355:Prodrugs / Q000737:chemistry*; D011789:Quantum Theory
chemical_list: D000970:Antineoplastic Agents; D002712:Chlorides; D008024:Ligands; D009944:Organoplatinum Compounds; D011355:Prodrugs; D001205:Ascorbic Acid