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Cytotoxic Effects on Breast Cancer Cell Lines of Chalcones Derived from a Natural Precursor and Their Molecular Docking Analysis. | LitMetric

Cytotoxic Effects on Breast Cancer Cell Lines of Chalcones Derived from a Natural Precursor and Their Molecular Docking Analysis.

Molecules

Centro de Investigación Farmacopea Chilena, Escuela de Química y Farmacia, Facultad de Farmacia, Universidad de Valparaíso, Av. Gran Bretaña 1093, Valparaíso 2360102, Chile.

Published: July 2022

AI Article Synopsis

Article Abstract

This study aimed to determine the in vitro cytotoxicity and understand possible cytotoxic mechanisms via an in silico study of eleven chalcones synthesized from two acetophenones. Five were synthesized from a prenylacetophenone isolated from a plant that grows in the Andean region of the Atacama Desert. The cytotoxic activity of all the synthesized chalcones was tested against breast cancer cell lines using an MTT cell proliferation assay. The results suggest that the prenyl group in the A-ring of the methoxy and hydroxyl substituents of the B-ring appear to be crucial for the cytotoxicity of these compounds. The chalcones 12 and 13 showed significant inhibitory effects against growth in MCF-7 cells (IC 4.19 ± 1.04 µM and IC 3.30 ± 0.92 µM), ZR-75-1 cells (IC 9.40 ± 1.74 µM and IC 8.75 ± 2.01µM), and MDA-MB-231 cells (IC 6.12 ± 0.84 µM and IC 18.10 ± 1.65 µM). Moreover, these chalcones showed differential activity between MCF-10F (IC 95.76 ± 1.52 µM and IC 95.11 ± 1.97 µM, respectively) and the tumor lines. The in vitro results agree with molecular coupling results, whose affinity energies and binding mode agree with the most active compounds. Thus, compounds and can be considered for further studies and are candidates for developing new antitumor agents. In conclusion, these observations give rise to a new hypothesis for designing chalcones with potential cytotoxicity with high potential for the pharmaceutical industry.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9318862PMC
http://dx.doi.org/10.3390/molecules27144387DOI Listing

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