Journal
SCIENTIFIC REPORTS
Volume 11, Issue 1, Pages -Publisher
NATURE RESEARCH
DOI: 10.1038/s41598-021-90035-7
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Funding
- National Natural Science Foundation of China [82073745, 81960636, 81660578]
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This study established regression equations between physicochemical parameters of flavonoids and their antibacterial activities, indicating that lipophilicity is a key factor for their effectiveness against gram-positive bacteria. Results showed that the minimum inhibitory concentrations of most flavonoids against gram-positive bacteria could be roughly calculated from their lipophilicity, and suggested that the cell membrane is the main target of flavonoids in exerting antibacterial effects.
Antimicrobial resistance seriously threatened human health, and new antimicrobial agents are desperately needed. As one of the largest classes of plant secondary metabolite, flavonoids can be widely found in various parts of the plant, and their antibacterial activities have been increasingly paid attention to. Based on the physicochemical parameters and antibacterial activities of sixty-six flavonoids reported, two regression equations between their ACD/LogP or LogD(7.40) and their minimum inhibitory concentrations (MICs) to gram-positive bacteria were established with the correlation coefficients above 0.93, and then were verified by another sixty-eight flavonoids reported. From these two equations, the MICs of most flavonoids against gram-positive bacteria could be roughly calculated from their ACD/LogP or LogD(7.40), and the minimum MIC was predicted as approximately 10.2 or 4.8 mu M, more likely falls into the range from 2.6 to 10.2 mu M, or from 1.2 to 4.8 mu M. Simultaneously, both tendentiously concave regression curves indicated that the lipophilicity is a key factor for flavonoids against gram-positive bacteria. Combined with the literature analyses, the results also suggested that the cell membrane is the main site of flavonoids acting on gram-positive bacteria, and which likely involves the damage of phospholipid bilayers, the inhibition of the respiratory chain or the ATP synthesis, or some others.
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