This study was performed to investigate the phytochemical profile, and the, in vitro, and, in silico, antioxidant and antibacterial properties of the essential oil (EO) extracted from Origanum compactum. EO phytochemical screening was examined by gas chromatography coupled to mass spectrometry. The antioxidant potential, in vitro, was assessed using reducing power(FRAP), free 2,2 diphenylpicrylhydrazyl (DPPH) radical scavenging and total antioxidant capacity tests. Antibacterial properties against two Gram (−) and two Gram (+) bacteria were assessed using the minimal inhibitory concentration (MIC) and the disc diffusion methods. By use of molecular docking, antioxidant and antibacterial activities of oregano EO were also tested. Thymol (75.53%) was the major compound among the nine compounds identified in the EO of Origanum compactum, followed by carvacrol (18.26%). Oregano EO showed an important antioxidant capacity, as tested by FRAP and DPPH assays, with EC50 and IC50 values of 13.300 ± 0.200 and 0.690 ± 0.062 mg/mL, respectively. The same EO has a total antioxidant capacity of 173.900 ± 7.231 mg AAE/g EO. The antibacterial results showed significant activity of Origanum compactum EO against all tested bacteria, especially against S. aureus (MIC = 0.25 mg/mL) and B. subtilis (MIC = 0.06 mg/mL). In silico, carvacrol was the most active molecule against nicotinamide adenine dinucleotide phosphate oxidase (2CDU) and S. aureus nucleoside diphosphate kinase (3Q8U) with a glide score of −6.082, and −6.039 kcal/mol, respectively. Regarding the inhibition of E. coli beta-ketoacyl-[acyl carrier protein] synthase (1FJ4), piperitenone was the most active molecule with a glide score of −7.112 kcal/mol. In light of the results obtained, the EO of Origanum compactum Moroccan species can be used as promising natural food conservatives and an agent to fight antibiotic-resistant nosocomial microbes.

No abstract

No abstract

Food is always subjected to microbial infection and lipid peroxidation, which frequently leads to serious food intoxications. In the present study, essential oils (EOs) extracted from Lavandula dentata Moroccan species and its major component (linalool) were chemically characterized and their antioxidant potential and antibacterial properties against foodborne pathogenic bacteria were examined. EOs phytochemical profile was carried out using gas chromatography-mass spectrometry analysis (GC-MS). The antioxidant potential was evaluated, in vitro, by use of the β-carotene discoloration assay and in silico vs. NADPH oxidase enzymatic complex as an antioxidant marker. The antibacterial proprieties were assessed by use of minimal inhibitory concentration (MIC) and disc diffusion methods, against Gram (−) bacteria (Pseudomonas aeruginosa, Salmonella enterica, and Escherichia coli) and Gram (+) bacteria (Bacillus subtilis and Staphylococcus aureus). Linalool (49.71%) was the major component among the eighteen components identified in Lavandula dentate EO, followed by camphor (14.36%) and borneol (8.21%). The studied EO and linalool compounds showed important antioxidant activity through the β-carotene discoloration test with IC50 values of 35.72 ± 1.21 mg/mL and 30.32 ± 1.23 mg/mL, respectively. Among all the analyzed compounds of lavender EOs, thymol, carvacrol, and α-terpineol were the most active compounds against NADPH oxidase with a glide score of −6.483, −6.17, and −4.728 kcal/mol, respectively. 2D and 3D views showed the formation of hydrogen bonds between the most active compounds and the active site of NADPH oxidase. The antibacterial data showed a significant activity of Lavandula dentata essences against tested foodborne pathogenic bacteria, especially against S. aureus and B. subtilis. Linalool proved active toward the same bacteria and had closer activity to that of lavender essential oil. In light of the obtained findings, the essential oil of Lavandula dentata Moroccan species can be used in the packaging sector as a promising natural food conservative to limit lipid oxidation and treat foodborne infections.

Anvillea radiata is a medicinal plant that has been used in traditional phytotherapy in North Africa as a treatment for various illnesses. In this study, we aim to explore the antioxidant, antifungal, and antibacterial effects of essential oils of Anvillea radiata (EOAR) collected in Morocco. EOAR was extracted by the hydrodistillation method, and the phytochemical identification was carried out by gas chromatography-Mass Spectrometry (GC/MS). The antioxidant capacity was evaluated by the 2.2-diphenyl-1-picrylhydrazyl (DPPH) method, ferricyanide method (FRAP) as well as total antioxidant capacity (TAC). Antifungal and antibacterial properties were determined by use of the disc diffusion and minimum inhibitory concentration assays. The microbial strains used in the antimicrobial evaluation were: Aspergillus niger (MTCC 282), Aspergillus flavus (MTCC 9606), Fusarium oxysporum (MTCC 9913), Candida albicans (ATCC 10231), Escherichia coli (ATB 97/BGM), Staphylococcus aureus (ATCC 6633), Bacillus subtills (DSM 6333), and Escherichia coli (ATB 57/B6N). Based on in silico simulations, the inhibitory power of EOAR against nicotinamide adenine dinucleotide phosphate oxidase (NADPH) was evaluated. The yield of the oil was 0.96% wherein 12 compounds were identified including α-cuprenene (33.48%) camphor (21.41%) and α-himachalene (15.88%) as major compounds. The antioxidant capacity showed an IC50 of 32.36 µg/mL (DPPH) and an EC-50 value of 64.60 ± 3.71 µg/mL in the FRAP assay. The total antioxidant capacity showed a concentration of 977.51 ± 22.38 µg AAE/mg (TAC). As for the antimicrobial effects, the inhibition diameter of the studied bacteria ranged from 23.50 ± 2.31 to mm 29.50 ± 2.21 mm, while for fungi, ranged from 25.12 ± 2.82 mm to 11.42 ± 1.90 mm. Minimum Inhibitory Concentration (MIC) ranged from 12.71 ± 1.59 µg/mL to 23.53 ± 0.78 µg/mL for bacterial strains and 10.31 ± 1.34 µg/mL to 22.75 ± 1.06 µg/mL for fungal strains. In silico, among all Anvillea radiata essential oils analyzed, the sesquiterpene γ-dehydro-ar-himachalene, monoterpenoid phenol carvacrol, as well as sesquiterpene α-cadinene were the most active compounds against NADPH oxidase with a glide score of −6.233, −6.082, and −5.057 Kcal/mol, respectively. Taken together, these data showed that EOAR exhibited enormous significance as an antioxidant, antifungal, and antibacterial agent.