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.

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

PIVETTA, TIZIANA;Ferino, Giulio;ISAIA, FRANCESCO;PANI, ALESSANDRA;VASCELLARI, SARAH;CABIDDU, MARIA GRAZIA;CADONI, ENZO
2017

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.
Anticancer; Copper complexes; Coumarin; DNA binding; Molecular docking; QSAR; Biochemistry; Inorganic Chemistry
File in questo prodotto:
File Dimensione Formato  
articolo jib.pdf

Solo gestori archivio

Tipologia: versione editoriale
Dimensione 1.11 MB
Formato Adobe PDF
1.11 MB Adobe PDF   Visualizza/Apri   Richiedi una copia
JINORGBIO_2017_382_Revision 2_V0_R2_accepted manuscipt.pdf

accesso aperto

Descrizione: accepted manuscript
Tipologia: versione post-print
Dimensione 6.64 MB
Formato Adobe PDF
6.64 MB Adobe PDF Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11584/224070
Citazioni
  • ???jsp.display-item.citation.pmc??? 1
  • Scopus 16
  • ???jsp.display-item.citation.isi??? 16
social impact