Tsipis Athanassios C, Karapetsas Ioannis N
Laboratory of Inorganic and General Chemistry, Department of Chemistry, University of Ioannina, 451 10, Ioannina, Greece.
Magn Reson Chem. 2017 Jul;55(7):662-669. doi: 10.1002/mrc.4570. Epub 2017 Jan 24.
Highly predictive one-parameter quantitative structure-activity relationship models have been developed for platinum-based anticancer drugs using the Pt 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 Pt NMR parameters. Copyright © 2016 John Wiley & Sons, Ltd.
利用铂核磁共振参数作为强描述符，已为铂基抗癌药物开发出具有高度预测性的单参数定量构效关系模型。所开发的定量构效关系模型应用于不同的抗增殖铂（II）和铂（IV）化合物同系物中。这些观察结果为仅通过检查计算得出的或实验测定的铂核磁共振参数来预测广泛的铂基抗肿瘤化合物的细胞毒性奠定了基础。版权所有© 2016约翰威立父子有限公司。
