Quantitative structure-activity relationship (QSAR) study of resveratrol-oxadiazole hybrids with antiproliferative activity in breast cancer cells

Edilson B. de Alencar-Filho

Resumo


Natural products are an inexhaustible source of new bioactive compounds. Polyphenols containing stilbene moiety are present in various plant species and have a known chemotherapeutic potential with low toxicity. Among them, the resveratrol is a compound abundant in grape and red wine that has presented activities against some types of tumor cell lines, being a good start point to the design of new drugs. In the modern drug design process, the establishment of quantitative relationships between chemical structures and biological activities is a crucial part. In this study, we present an initial QSAR modeling based on previously synthetized resveratrol-oxadiazole hybrids, with antiproliferative activity in breast cancer cells, identifying molecular descriptors that can be useful in the qualitative proposition and quantitative evaluation of more active analogs.

Palavras-chave


Resveratrol-oxadiazole hybrids; Breast cancer; QSAR; OPS; Dragon descriptors



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