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In silico and in vitro antibacterial evaluation of eight Anatolian Salvia species with chemical profiling by LC-HRMS

Seçil Yazıcı-Tütüniş,Gülbahar Özge Alim Toraman,E. Dincel,Selin Tufan,Emine Akalın,E. Tan,Nuray Ulusoy-Güzeldemirci,A. Gören,Mahmut Miski,Gulacti Topcu,Nur Tan

Published 2025 in Scientific Reports

ABSTRACT

Salvia species play a significant role in the pharmaceutical and nutraceutical industries due to their rich chemical profiles and notable biological activities. This study aimed, for the first time, to comprehensively investigate the phytochemical profile and antibacterial properties of eight selected Salvia species. Ethanol and water extracts were prepared from the dried aerial parts, and their chemical compositions were analyzed via LC-HRMS. Rosmarinic acid was the major compound in almost all the prepared extracts. Following rosmarinic acid, caffeic acid, fumaric acid, salvianolic acid B, and hispidulin-7-O-glucoside were also identified as principal constituents. The antibacterial potential of the relevant metabolites was evaluated in silico, and their receptor binding profiles targeting dihydrofolate reductase and dihydropteroate synthase were elucidated. Additionally, the in vitro antibacterial efficacy of all the extracts was determined against various bacterial strains using a modified microbroth dilution method. Among all tested extracts, both the infusion and decoction of Salvia albimaculata exhibited the strongest antibacterial activity against Staphylococcus aureus and MRSA. Additionally, the ethanol extracts of S. albimaculata, S. viridis, S. verticillata, and S. pilifera demonstrated moderate activity against MRSA. These findings contribute valuable insights into the development of natural-based antibacterial agents for the pharmaceutical and food industries.

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