Chemical Constituents, In Silico Studies and In Vitro Antioxidant, Enzyme Inhibitory and Antibacterial Activities of the Algerian Tamarix boveana Essential Oil and Extracts

Abstract

The objective of this study is to evaluate, for the first time, the chemical composition and the antioxidant, enzyme inhibitory, photoprotective and antibacterial properties of the <i>Tamarix boveana</i> essential oil (EO) as well as its organic extracts. The analysis of the EO obtained from the aerial parts of <i>T. boveana</i> was carried out employing the technique of gas chromatography with flame ionization detection (GC-FID) and mass spectrometry (GC-MS). Forty-four constituents were identified, constituting 91.18% of the oil, with the major compounds being <i>γ</i>-cadinene (9.41%), <i>β</i>-caryophyllene (6.71%), limonene (6.5%), <i>p</i>-cymene (6.16%), copaene (4.37%), terpinen-4-ol (4.23%), <i>δ</i>-cadinene (4.21%) and <i>γ</i>-terpinene (4.11%). The antioxidant activity of <i>T. boveana</i> essential oil and organic extracts (hydroalcoholic, CHCl₃, AcOEt, <i>n</i>-BuOH) was evaluated by different tests, including DPPH, ABTS, phenanthroline, SNP and ferric reducing power. The findings indicated that <i>T. boveana</i> essential oil possesses moderate antioxidant capacity, with IC₅₀ values of 223.59 ± 1.01 μg/mL according to the DPPH test. The extracts and essential oil also demonstrated notable inhibitory impacts against <i>α</i>-amylase and butyrylcholinesterase. Antimicrobial activity was determined regarding four bacterial strains, determining the minimum inhibitory concentrations (MICs) and bactericidal concentrations (MBCs). The geometry and electronic properties of the main EO compounds were determined using density functional theory (DFT) calculations. Furthermore, docking studies were conducted to investigate the interaction and binding affinity of these molecules with the active sites of BuChE and <i>α</i>-amylase enzymes. The results highlight the value of <i>Tamarix boveana</i> as a medicinal plant and indicate its effectiveness as an important source of bioactive compounds for many uses.