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

Abstract

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.

Hemi-synthesis of novel (S)-carvone hydrazone from Carum carvi L. essential oils: Structural and crystal characterization, targeted bioassays and molecular docking on human protein kinase (CK2) and Epidermal Growth factor Kinase (EGFK)

“…Cytotoxicity of the ( s )-CHD was evaluated by antigrowth effect on tumoral cells according to the procedure described by [51] . Four human tumor cell lines, NCI-H460 (non-small cell lung cancer), Hela (cervical carcinoma), HepG2 (hepatocellular carcinoma), MCF-7 (breast carciroma) were selected for the assays.…”

“…For the anti-inflammatory assay was performed in -vitro using a cell-based model of lipopolysaccharide (LPS)-stimulated (RAW 264.7) murine macrophage-like cell line as previously described [51] . The assay is able to determine the anti-inflammatory activity of the produced molecule at different concentrations (serially diluted in ultrapure water starting from 400 μg/mL) basing on measurement of NO levels produced by the stimulated RAW 264.7 cells.…”

Chemical Synthesis and Hemi-Synthesis of Novel Benzimidazole Derivatives Using Microwave-Assisted Process: Chemical Characterization, Bioactivities and Molecular Docking

“…The protein was prepared for molecular docking by removing ligand heteroatoms and water molecules, and by addition of polar hydrogens on AutoDock tools 1.5.7 software (ADT, The Scripps Research Institute, La Jolla, CA, USA). The ligand 1b and 5b, was prepared for molecular docking simulation by setting the torsion tree and rotatable, nonrotatable bonds present in the ligand through AutoDock tools software [12], The binding scores of the receptor proteins is identified by Biovia DS visualizer. The molecular docking affinity of the receptors/ligand is validated basing on the obtained binding energy (ΔG) and the predicted inhibition constant (Ki).…”

Chitosan/nanocellulose electrospun fibers with enhanced antibacterial and antifungal activity for wound dressing applications

“…Acacia contains a lot of medicinal properties such as antimicrobial, anti-inflammatory and antioxidant, which are essential for several biomedical applications [14,15]. Although acacia antimicrobial activity has already been studied [16], as far as the authors know, its effect when incorporated into nanofibers has never been reported. Therefore, the introduction of this plant-based extract will possibly increase the antibacterial and antifungal effect of these biobased nanofibers, providing a synergetic effect for wound healing process and regeneration of the lost tissue.…”