title: 195Pt NMR parameters as strong descriptors in one-parameter QSAR models for platinum-based antitumor compounds.
abstract: Highly predictive one-parameter quantitative structure-activity relationship models have been developed for platinum-based anticancer drugs using the195Pt NMR parameters as strong descriptors. The developed quantitative structure-activity relationship models were applied in diverse homogeneous sets of antiproliferative Pt(II) and Pt(IV) compounds. These observations form the basis for making predictions of cytotoxicity for a broad range of platinum-based antitumor compounds just from inspection of calculated or experimentally determined195Pt NMR parameters. Copyright © 2016 John Wiley & Sons, Ltd.
authors.affiliation: Laboratory of Inorganic and General Chemistry, Department of Chemistry, University of Ioannina, 451 10, Ioannina, Greece.
authors.forename: Athanassios C
authors.initials: AC
authors.lastname: Tsipis
authors.affiliation: Laboratory of Inorganic and General Chemistry, Department of Chemistry, University of Ioannina, 451 10, Ioannina, Greece.
authors.forename: Ioannis N
authors.initials: IN
authors.lastname: Karapetsas
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry* / Q000494:pharmacology; D056831:Coordination Complexes / Q000737:chemistry* / Q000494:pharmacology; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D010984:Platinum / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship; D012997:Solvents / Q000737:chemistry
chemical_list: D000970:Antineoplastic Agents; D056831:Coordination Complexes; D012997:Solvents; D010984:Platinum
keywords: 195Pt NMR; 195Pt NMR descriptors; Pt-based anticancer drugs; QSAR model; homogeneous series of Pt-based drugs; photoactivable Pt(IV) complexes