Synthesis of ester-linked ursolic acid-based hybrid compounds: Potential antibacterial and anticancer agents
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Date
2023
Journal Title
Journal ISSN
Volume Title
Publisher
Wiley
Abstract
The molecular hybridization of two or more drugs into a single molecule is an effective drug design approach
to reduce pill burden and improve patient treatment adherence. Ursolic acid-based hybrid compounds were
synthesized and characterized followed by molecular docking studies. In vitro studies against various bacterial
strains and human cancer cells (MDA-MB-231, HeLa, and MCF-7) were performed. Compounds 14–19, 21, 34,
31, and 30 demonstrated significant antibacterial activities with MIC values of 15.625 μg/ml. Compounds 29 and
34 were more cytotoxic than ursolic acid, with IC50 values of 46.99 and 48.18 μg/ml. Compounds 29 and 34 in
the docking studies presented favourable binding interactions and better docking energy against the Epidermal
Growth Factor Receptor (EGFR) than the parent compound, ursolic acid. The findings revealed that the ursolic
acid scaffold is a promising precursor for the development of molecules with promising anticancer and
antimicrobial activities. However, more studies are needed to fully understand their mode of action.
Description
Keywords
Pharmaceuticals, Chemistry, Biodiversity, Cancer
Citation
Khwaza, V. et al. (2023). Synthesis of ester-linked ursolic acid-based hybrid compounds: Potential antibacterial and anticancer agents. Chemistry and Biodiversity, 20(4), e202300034. https://doi.org/10.1002/cbdv.202300034