Phenolic profiling, biological activities and in silico studies of Acacia tortilis (Forssk.) Hayne ssp. raddiana extracts.

To evaluate the phenolic profile and biological activity of the Algerian Sahara plant Acacia tortilis (Forssk.) Hayne ssp. raddiana decoction and 80% ethanolic extracts were studied. Chromatographic profiling indicated the presence of 36 phenolic compounds, including gallic acid esterified derivatives, galloylquinic derivatives and flavan-3-ols galloyl derivatives. Both extracts showed significant cytotoxic activity and a potent anti-inflammatory activity. They were effective against several multi-drug resistant bacteria, namely methicillin-resistant Staphylococcus aureus (MRSA). To understand the possible mechanism of action of MRSA inhibition activity, an in silico docking analysis was done using a virtual library of the 36 determined phenolic compounds against penicillin-binding protein (PBP2a), a protein known to be involved in MRSA resistance to β-lactam antibiotics. A. tortilis extracts showed interesting biological activities and the phenolic compounds found could be an interesting starting point for the development of cytotoxic and anti-inflammatory drugs and especially anti-MRSA antibiotics. Image 1 • Acacia tortilis decoction and ethanol extracts were characterized. • Esterified gallic acids, galloylquinic acids and flavan-3-ols galloyl derivatives were found. • Both extracts showed cytotoxic, anti-inflammatory and antibacterial activity. • Docking predicted PBP2a as a potential protein target for the phenolic compounds. [ABSTRACT FROM AUTHOR]