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

Abstract

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.