Synthesis, Antitumor Activity and Docking of 2,3-(Substituted)-1,4-Naphthoquinone Derivatives Containing Nitrogen, Oxygen and Sulfur

Eleven 2,3-(substituted)-1,4-naphthoquinone derivatives were synthesized in yields ranging from 52-89%. These derivatives were evaluated for their cytotoxic effects on human lungs (H460), triple-negative breast (MDA-MB-231) and ovarian (A2780) cancer cell lines. Compounds 5f and 8 showed IC50values of 3.048 × 10-5 mol L-1 and 4.24 × 10-6 mol L-1 for H460; 5c and 8showed IC50 values of 2.16 × 10-5 mol L-1 and 1.60 × 10-5 mol L-1 for MDA-MB-231, and 5gand 8 showed IC50 values of 2.68 × 10-6 mol L-1 and 3.89 × 10-6 mol L-1 for A2780. Additionally, we conducted a docking study with the four most active compounds and the therapeutic targets PI3K and topoisomerase II showing the pharmacophoric conformation of these compounds.

Bibliographic Details

Main Authors:	Delarmelina,Maicon, Daltoé,Renata D., Cerri,Murilo F., Madeira,Klesia P., Rangel,Leticia B. A., Lacerda Júnior,Valdemar, Romão,Wanderson, Taranto,Alex G., Greco,Sandro J.
Format:	Digital revista
Language:	English
Published:	Sociedade Brasileira de Química 2015
Online Access:	http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532015000901804
Tags:	Add Tag No Tags, Be the first to tag this record!