Molecular Docking Analysis, Chemical Composition, and Evaluation of Antibacterial and Insecticidal Activity of Salvia officinalis Essential Oil DOI Creative Commons
Safaa Rhaimi, Mohamed Taibi,

Mariam Barrahi

et al.

Journal of Food Processing and Preservation, Journal Year: 2024, Volume and Issue: 2024(1)

Published: Jan. 1, 2024

Salvia officinalis has been used for so many years as a traditional remedy and still in pharmaceutical, cosmetics, food industries, which made it an interesting subject researcher of natural alternatives. Enhancing the value Moroccan S. essential oil, is grown at Sidi Taibi Rabat‐Salé‐Kénitra Region, was goal this project, through analyzing its chemical composition assessing insecticidal antibacterial activities. This latter estimated by comparison with antibiotic ceftriaxone. The main components identified gas chromatography–mass spectrometry (GC‐MS) were camphor, eucalyptol (1,8‐cineole), α ‐thujone, β ledol, isoterpinolene values 19.72%, 15.64%, 15.05%, 9.74%, 7.27%, 3.24%, respectively. A study activity revealed that while ceftriaxone seemed useless against bacteria tested (all proved resistant to antibiotic), oil showed inhibitory effect on four tested, MIC ranging from 1/100 1/500 CMB 1/100. Using several dosages pure oils (0, 1, 5, 10, 20 μ L), fumigant toxicity ascertained. mortality rate individuals Sitophilus oryzae Rhyzopertha dominica reached 100% when applying dose 10.00 L/L air during 36 h exposure 24 R. . LC 50 determined 2.51 6.02 successively, LC95 5.45 12.61 over 12 successively. Molecular docking analysis ledol potent inhibitor three key enzymes involved mainly acetylcholinesterase (AChE), γ ‐aminobutyric acid receptor (GABA), ryanodine receptor.

Language: Английский

Comprehensive Analysis of Nigella sativa (L.) Pharmacology: A Multi-Method Approach with ICP, HPLC-DAD, in Vitro, in Vivo, and in Silico Techniques DOI
Otmane Zouirech,

Assia Houiat,

Rafik El-Mernissi

et al.

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 142182 - 142182

Published: March 1, 2025

Language: Английский

Citations

0
Chemical Profiling and Antioxidant, Antimicrobial, and Hemolytic Properties of Euphorbia calyptrata (l.) Essential oils: in Vitro and in Silico Analysis DOI Creative Commons
Fatima El Kamari, Otmane Zouirech, Amira Metouekel

et al.

ChemistryOpen, Journal Year: 2024, Volume and Issue: 13(8)

Published: March 25, 2024

Abstract In this work, we sought to validate the use of Euphorbia calyptrata (L.), a Saharan and Mediterranean medicinal plant, in traditional pharmacopeia. GC‐MS/MS identified volatile compounds potential therapeutic interest. Antioxidant tests were performed using β‐carotene decolorization, DPPH radical scavenging, FRAP, beta‐carotene bleaching, TAC. The antimicrobial activity was evaluated on solid liquid media for bacterial fungal strains determine zone inhibition minimum growth concentration (MIC) microbes tested. hemolytic these essential oils assessed red blood cells isolated from rat blood. Phytochemical characterization terpenic by revealed 31 compounds, with alpha‐Pinene dominating (35.96 %). antioxidant power tested an IC 50 67.28 μg/mL (DPPH), EC 80.25.08±1.42 (FRAP), 94.83±2.11 (beta carotene) 985.07±0.70 (TAC). Evaluating media‘s antibacterial antifungal properties between 10.28 mm 25.80 31.48 34.21 mm, respectively. On media, MIC ranged 10.27 24.91 9.32 19.08 strains. molecular docking analysis, naphthalene, shogunal, manol oxide showed greatest against NADPH oxidase, Glide G scores −5.294, −5.218 −5.161 kcal/mol, For E. coli beta‐ketoacyl‐[acyl carrier protein] synthase, most potent molecules cis‐Calamenene, alpha.‐Muurolene Terpineol, G‐scores −6.804, −6.424 −6.313 Hemolytic final 9.42±0.33 % 100 concentration. have good antioxidant, antimicrobial, thanks their rich phytochemical composition, analysis confirmed biological potency.

Language: Английский

Citations

2
In Vitro Antioxidant and In Vivo Antigenotoxic Features of a Series of 61 Essential Oils and Quantitative Composition–Activity Relationships Modeled through Machine Learning Algorithms DOI Creative Commons
Milan Mladenović, Roberta Astolfi, Nevena Stanković

et al.

Antioxidants, Journal Year: 2023, Volume and Issue: 12(10), P. 1815 - 1815

Published: Sept. 29, 2023

The antioxidant activity of essential oils (EOs) is an important and frequently studied property, yet it not sufficiently understood in terms the contribution EOs mixtures’ constituents biological properties. In this study, a series 61 commercial were first evaluated as antioxidants vitro, following closely possible cellular pathways reactive oxygen species (ROS) generation. Hence, assessed for ability either to chelate metal ions, thus interfering with ROS generation within respiratory chain, or neutralize 2,2-diphenyl-1-picrylhydrazyl (DPPH•) lipid peroxide radicals (LOO•), thereby halting peroxidation, well 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid cation (ABTS•+) hydroxyl (OH•), preventing from damaging DNA nucleotides. Showing noteworthy potencies all at ng/mL level, active also characterized protectors double strands damage induced by peroxyl (ROO•), emerging 2,2′-azobis-2-methyl-propanimidamide (AAPH) source, OH•, indicating some genome protectivity antigenotoxicity effectiveness vitro. chemical compositions associated obtained activities then analyzed means machine learning (ML) classification algorithms generate quantitative composition–activity relationships (QCARs) models (models published AI4EssOil database available online). QCARs enabled us highlight key features (EOSs’ compounds) exerting redox define partial dependencies features, viz. percentages mixture required exert given potency. ML-based explained positive negative most components: limonene, linalool, carvacrol, eucalyptol, α-pinene, thymol, caryophyllene, p-cymene, eugenol, chrysanthone. Finally, potent Ylang-ylang (Cananga odorata (Lam.)) Ceylon cinnamon peel (Cinnamomum verum J. Presl), promptly administered vivo evaluate rescue against caused CCl4, verifying their antigenotoxic properties liver kidney.

Language: Английский

Citations

5
Prefatory in silico studies and in vitro insecticidal effect of Nigella sativa (L.) essential oil and its active compound (carvacrol) against the Callosobruchus maculatus adults (Fab), a major pest of chickpea DOI Creative Commons
Otmane Zouirech, Abdelfattah El Moussaoui, Hamza Saghrouchni

et al.

Open Chemistry, Journal Year: 2023, Volume and Issue: 21(1)

Published: Jan. 1, 2023

Abstract To help discover a reasonable and eco-friendly insecticide, we undertook study on the insecticidal potential of carvacrol essential oils extracted by hydrodistillation using Clevenger apparatus from plant species Nigella sativa seeds (EONS) Callosobruchus maculatus adults. Several tests including contact toxicity, repellent effect, topical test, inhalation effect were conducted. Adults C. have been exposed to toxic effects different concentrations these as well with carvacrol. The results obtained showed that both EONS exhibited moderate (class II) C . highest toxicity an LD 50 13.386 95 33.186 μL/cm 2 , compared (LD = 21.509 38.877 ). test more effects, 23.350 µL/100 g 45.315 g, 27.853 45.184 g). For results, was toxic, 3.915 7.696 µL/mL, 14.509 25.516 µL/mL). high can be explained presence 25.8% o -cymene, 8.53% cyclofenchene, 7.71% beta-pinene, 4.6% carvacrol, in its chemical composition. Unmitigatedly, data suggest N. may present raw material for development new bio-insecticidal products against one main pests stored foodstuffs.

Language: Английский

Citations

5
Insecticidal activity of essential oils and plant extracts on cowpea aphid DOI
João Pedro Novais Queiroz Guimarães, Gustavo Haralampidou da Costa Vieira, Abimael Gomes da Silva

et al.

Natural Product Research, Journal Year: 2024, Volume and Issue: unknown, P. 1 - 6

Published: May 10, 2024

Aphid population's reduction occurs through chemical management, but the indiscriminate use of these products can cause environmental impacts and health risks. This study aimed to determine insecticidal effects essential oils plant extracts as an alternative for aphid control management. The experimental design was entirely randomised in a 5x5 factorial scheme with five replications. Essential rosemary, citronella, corn mint, hydroethanolic garlic cinnamon at concentrations (0, 10, 20, 40, 80 μL.L−1) were used. In exposure period 96 h, extract oil mint (Mentha arvensis) showed greater effect on mortality. other evaluated lower mortalities potential be effective dosages above μL.L−1.

Language: Английский

Citations

0
Molecular Docking Analysis, Chemical Composition, and Evaluation of Antibacterial and Insecticidal Activity of Salvia officinalis Essential Oil DOI Creative Commons
Safaa Rhaimi, Mohamed Taibi,

Mariam Barrahi

et al.

Journal of Food Processing and Preservation, Journal Year: 2024, Volume and Issue: 2024(1)

Published: Jan. 1, 2024

Salvia officinalis has been used for so many years as a traditional remedy and still in pharmaceutical, cosmetics, food industries, which made it an interesting subject researcher of natural alternatives. Enhancing the value Moroccan S. essential oil, is grown at Sidi Taibi Rabat‐Salé‐Kénitra Region, was goal this project, through analyzing its chemical composition assessing insecticidal antibacterial activities. This latter estimated by comparison with antibiotic ceftriaxone. The main components identified gas chromatography–mass spectrometry (GC‐MS) were camphor, eucalyptol (1,8‐cineole), α ‐thujone, β ledol, isoterpinolene values 19.72%, 15.64%, 15.05%, 9.74%, 7.27%, 3.24%, respectively. A study activity revealed that while ceftriaxone seemed useless against bacteria tested (all proved resistant to antibiotic), oil showed inhibitory effect on four tested, MIC ranging from 1/100 1/500 CMB 1/100. Using several dosages pure oils (0, 1, 5, 10, 20 μ L), fumigant toxicity ascertained. mortality rate individuals Sitophilus oryzae Rhyzopertha dominica reached 100% when applying dose 10.00 L/L air during 36 h exposure 24 R. . LC 50 determined 2.51 6.02 successively, LC95 5.45 12.61 over 12 successively. Molecular docking analysis ledol potent inhibitor three key enzymes involved mainly acetylcholinesterase (AChE), γ ‐aminobutyric acid receptor (GABA), ryanodine receptor.

Language: Английский

Citations

0