195Pt NMR parameters as strong descriptors in one‐parameter QSAR models for platinum‐based antitumor compounds |
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| Authors: | Athanassios C. Tsipis Ioannis N. Karapetsas |
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| Affiliation: | Laboratory of Inorganic and General Chemistry, Department of Chemistry, University of Ioannina, Ioannina, Greece |
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| Abstract: | Highly predictive one‐parameter quantitative structure–activity relationship models have been developed for platinum‐based anticancer drugs using the 195Pt 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 determined 195Pt NMR parameters. Copyright © 2016 John Wiley & Sons, Ltd. |
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| Keywords: | 195Pt NMR Pt‐based anticancer drugs QSAR model 195Pt NMR descriptors photoactivable Pt(IV) complexes homogeneous series of Pt‐based drugs |
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