Investigation on Quantitative Structure-Activity Relationships of 1,3,4 Oxadiazole Derivatives as Potential Telomerase Inhibitors

Marco Tutone, Beatrice Pecoraro, Anna Maria Almerico

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)
23 Downloads (Pure)

Abstract

A series of 1,3,4-oxadiazole derivatives with significant broad-spectrum anticancer activity against different cell lines, and demonstrated telomerase inhibition, was subjected to Quantitative Structure-Activity Relationships (QSAR) analysis. Validated models with high correlation coefficients were developed. The Multiple Linear Regression (MLR) models, by Ordinary Least Squares (OLS), showed good robustness and predictive capability, according to the Multi-Criteria Decision Making (MCDM = 0.8352), a technique that simultaneously enhances the performances of a certain number of criteria. The descriptors selected for the models, such as electrotopological state (E-state) descriptors, and extended topochemical atom (ETA) descriptors, showed the relevant chemical information contributing to the activity of these compounds. The results obtained in this study make sure about the identification of potential hits as prospective telomerase inhibitors.

Original languageEnglish
JournalCurrent Drug Discovery Technologies
Early online date23 Jul 2018
DOIs
Publication statusE-pub ahead of print - 23 Jul 2018

Keywords

  • QSAR
  • 1,2,4-oxadiazoles
  • telomerase
  • antitumoral

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