As serious global drug resistance motivated the exploration of new structural drugs, we developed a type of novel structural aloe-emodin azoles as potential antibacterial agents in this work. Some target aloe-emodin azoles displayed effective activity against the tested strains, especially tetrazolyl aloe-emodin showed a low MIC value of 2 μg mL towards MRSA, being more efficient than the reference drug norfloxacin (MIC = 8 μg mL). Also, the active molecule exhibited low cytotoxicity against LO cells with no distinct tendency to induce the concerned resistance towards MRSA. The tetrazolyl derivative was preliminarily investigated for the possible mechanism; it was revealed that tetrazolyl derivative could both disrupt the integrity of MRSA membrane and form -DNA supramolecular complex by intercalating into DNA. Moreover, tetrazolyl aloe-emodin could bind with MRSA DNA isomerase at multiple sites through hydrogen bonds in molecular simulation.
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| http://dx.doi.org/10.1039/d0md00429d | DOI Listing |
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