Quantitative Structure-Cytotoxicity Relationship of Furo[2,3-b ]chromones

Anticancer Research
Y UesawaYoshiaki Sugita

Abstract

The furo[2,3-b]chromone derivatives are natural products that have been used as folklore medicines for various diseases. Here, the cytotoxicity of 12 synthesized furo[2,3-b]chromone derivatives was investigated and subjected to quantitative structure-activity relationship (QSAR) analysis. Cytotoxicity against three human oral squamous cell carcinoma cell lines and three types of oral normal mesenchymal cells was determined by the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) method. Tumor specificity (TS) was evaluated as the ratio of the mean 50% cytotoxic concentration (CC50) against normal oral cells to that against carcinoma cell lines. Potency-selectivity expression (PSE) was calculated by dividing the TS value by CC50 against tumor cells. Apoptosis induction was evaluated by cell morphology and caspase-3 activation. Morphological changes were monitored under light microscopy. For QSAR analysis, 288 physicochemical, structural and quantum chemical features were calculated from the most stabilized structure optimized using Corina. Four furo[2,3-b]chromone derivatives showed relatively strong tumor selectivity. In particular, the derivatives with phenylethenyl and methoxy groups showed the highest TS, eq...Continue Reading

Citations

Apr 5, 2019·Molecular Informatics·Anita RáczKároly Héberger

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