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Novel coumarins and related copper complexes with biological activity: DNA binding, molecular docking and in vitro antiproliferative activity. | LitMetric

AI Article Synopsis

  • Coumarins are known for their therapeutic effects and have been studied for their biological activity, but research on coumarins with pyridine heterocycles is limited.
  • The study focused on synthesizing and analyzing three new 3-(pyridin-2-yl)coumarins and their copper(II) complexes, alongside previously known coumarins.
  • Antiproliferative activity was evaluated against tumor and normal cell lines, and DNA interactions were analyzed using binding constant measurements and docking studies, along with QSAR techniques to connect chemical structure to biological effects.

Article Abstract

Coumarins show biological activity and are widely exploited for their therapeutic effects. Although a great number of coumarins substituted by heterocyclic moieties have been prepared, few studies have been carried out on coumarins containing pyridine heterocycle, which is known to modulate their physiological activities. We prepared and characterized three novel 3-(pyridin-2-yl)coumarins and their corresponding copper(II) complexes. We extended our investigations also to three known similar coumarins, since no data about their biochemical activity was previously been reported. The antiproliferative activity of the studied compounds was tested against human derived tumor cell lines and one human normal cell line. The DNA binding constants were determined and docking studies with DNA carried out. Selected Quantitative Structure-Activity Relationship (QSAR) descriptors were calculated in order to relate a set of structural and topological descriptors of the studied compounds to their DNA interaction and cytotoxic activity.

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Source
http://dx.doi.org/10.1016/j.jinorgbio.2017.09.013DOI Listing

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