CAML Model for Computational Biology DOI

Parimal Pal Chaudhuri,

Adip Dutta,

Somshubhro Pal Choudhury

et al.

Published: Jan. 1, 2025

Language: Английский

Evaluation of Antioxidant Activity, Cytotoxicity, and Genotoxicity of Ptychotis verticillata Essential Oil: Towards Novel Breast Cancer Therapeutics DOI Creative Commons
Mohamed Taibi, Amine Elbouzidi, Sabir Ouahhoud

et al.

Life, Journal Year: 2023, Volume and Issue: 13(7), P. 1586 - 1586

Published: July 19, 2023

Breast cancer is a disease characterized by the uncontrolled proliferation of malignant cells in breast tissue, and oxidative stress activated an accumulation reactive oxygen species (ROS) associated with its development progression. Essential oils from medicinal plants, known for their antioxidant therapeutic properties, are being explored as alternatives. Ptychotis verticillata, also Nûnkha, plant native to Morocco, belonging Apiaceae family, used generations traditional medicine. This study focuses on phytochemical characterization P. verticillata essential oil (PVEO) province Oujda, properties. The was obtained hydro-distillation, volatile components were analyzed gas chromatography-mass spectrometry (GC-MS). results revealed presence various aromatic terpene compounds, carvacrol most abundant compound. PVEO showed properties several tests, including β-carotene bleaching, 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging total capacity (TAC). It demonstrated cytotoxicity against MCF-7 MDA-MB-231 cell lines, higher selectivity MDA-MB-231. reveal that could be promising natural alternative treatment cancer.

Language: Английский

Citations

19

Tetraclinis articulata (Vahl) Mast. essential oil as a promising source of bioactive compounds with antimicrobial, antioxidant, anti-inflammatory and dermatoprotective properties: In vitro and in silico evidence DOI Creative Commons
Naoufal El Hachlafi, Kawtar Fikri-Benbrahim, Samiah Hamad Al-Mijalli

et al.

Heliyon, Journal Year: 2023, Volume and Issue: 10(1), P. e23084 - e23084

Published: Dec. 3, 2023

Tetraclinis articulata is a known traditional medicinal plant used to manage various ailments, such as diabetes, rheumatism and infectious diseases. This study aims determine the chemical constituents of T. essential oil (EO) evaluate its in vitro antibacterial, anti-candidal, antioxidant, anti-inflammatory dermatoprotective properties. In addition, computational docking approach was predict potential antifungal, anti-inflammatory, cytotoxic properties identified compounds. The volatile obtained by hydrodistillation characterized using gas chromatography-mass spectrometry (GC-MS). antioxidant activity EO investigated three complementary assays: DPPH, ABTS FRAP. Lipoxygenase (5-LOX) tyrosinase enzymes were assess effects this oil. Moreover, disc-diffusion technique, minimum inhibitory concentration (MIC) bactericidal (MBC) assays employed for antimicrobial screening. GC-MS analysis revealed that bornyl acetate (41.80 %), α-pinene (17.97 %) camphor (15.97 are major components studied EO. has exhibited promising effect on FRAP, experiments. It also significantly inhibited 5-LOX (IC50 = 67.82 ± 0.03 μg/mL) 211.93 0.02 μg/mL). results MIC MBC indicated able inhibit growth all tested bacteria (Gram + Gram -) Candida species. ratio tolerance level against species, whereas it bacteriostatic behavior Gram− bacteria. light these findings, may be suggested pharmaceutical agent prevent inflammation skin problems serve natural alternative sustainable application food products.

Language: Английский

Citations

18

Phytochemical characterization and multifaceted bioactivity assessment of essential oil from Ptychotis verticillata Duby: Anti-diabetic, anti-tyrosinase, and anti-inflammatory activity DOI Creative Commons
Mohamed Taibi, Amine Elbouzidi, Mounir Haddou

et al.

Heliyon, Journal Year: 2024, Volume and Issue: 10(8), P. e29459 - e29459

Published: April 1, 2024

The aim of this study is to explore the pharmacological properties essential oil derived from

Language: Английский

Citations

8

Exploring the multifaceted bioactivities of Lavandula pinnata L. essential oil: promising pharmacological activities DOI Creative Commons
Mounir Haddou, Amine Elbouzidi, Mohamed Taibi

et al.

Frontiers in Chemistry, Journal Year: 2024, Volume and Issue: 12

Published: April 8, 2024

Introduction: This study investigates the biological activities of Lavandula pinnata essential oil (LPEO), an endemic lavender species from Canary Islands, traditionally used in treating various ailments. Methods: LPEO was extracted by hydrodistillation and analyzed using GC-MS. Antioxidant activity assessed DPPH radical scavenging total antioxidant capacity assays. Antimicrobial evaluated disc diffusion, MIC, MBC, MFC determination against bacterial ( Staphylococcus aureus, Micrococcus luteus, Escherichia coli, Pseudomonas aeruginosa ) fungal Candida glabrata, Rhodotorula glutinis, Aspergillus niger, Penicillium digitatum strains. Antidiabetic anti-gout potential were investigated through α-amylase, α-glucosidase, xanthine oxidase inhibition Antityrosinase determined a modified dopachrome method. Cytotoxicity MTT assay breast (MCF-7, MDA-MB-468), liver (HepG2), colon (HCT-15) cancer cells, normal cells (PBMCs). Results discussion: exhibits potent antiradical (IC50 = 148.33 ± 2.48 μg/mL) significant (TAC 171.56 2.34 μg AA/mg EO). It demonstrates notable antibacterial four strains with zones ranging 18.70 0.30 mm to 29.20 mm, along relatively low MIC MBC values. displays antifungal fungicidal effect at 1 mg/mL, surpassing positive control (cycloheximide), values indicating effect. substantial enzyme 26.48 0.90 μg/mL), comparable allopurinol, marked inhibitory effects on α-amylase 31.56 0.46 α-glucosidase 58.47 2.35 enzymes.The tyrosinase is inhibited 29.11 0.08 mg/mL). moderate cytotoxic breast, liver, toxicity towards (PBMC). greater selectivity than cisplatin for (MCF-7) but lower (HepG2) metastatic (MDA-MB-468) cells. These findings suggest as antioxidant, antimicrobial, anti-gout, antidiabetic, anticancer agent.

Language: Английский

Citations

6

Unlocking the combined action of Mentha pulegium L. essential oil and Thym honey: In vitro pharmacological activities, molecular docking, and in vivo anti-inflammatory effect DOI Creative Commons
Hamza Assaggaf, Naoufal El Hachlafi, Amine Elbouzidi

et al.

Heliyon, Journal Year: 2024, Volume and Issue: 10(11), P. e31922 - e31922

Published: May 28, 2024

Mentha pulegium L., a plant widely embraced for its therapeutic properties by populations worldwide, including Morocco, has long been recognized potential in treating various ailments. This study aims to comprehensively evaluate the antioxidant, anti-inflammatory, and dermatoprotective of essential oil derived from M. pulegium, thyme honey as well their combined effects. To unravel chemical composition, rigorous GC-MS analysis was conducted. Subsequently, we examined antioxidant through three distinct assays: DPPH●, hydrogen peroxide assay, xanthine oxidase assay. The anti-inflammatory were scrutinized both vitro vivo experiments. Simultaneously, efficacy investigated evaluating tyrosinase inhibition. Our findings revealed that pulegone constitutes predominant compound (MPEO), constituting remarkable 74.82% composition. Significantly, when with thym honey, it exhibited superior effects across all tests. Moreover, our silico molecular docking hinted at role cyclohexanone, 3-methyl, an element found MPEO, contributing observed outcomes. While this unveiled promising results regarding vitro, biological activities is imperative delve further into underlying mechanisms additional experimentation alternative experimental methods. Understanding these greater detail will not only enhance comprehension but also pave way development innovative treatments applications rooted synergy natural compounds. Furthermore, would be advantageous test different possible combinations using design model. better effect single compounds MPEO clearly elucidate efficiency. alone or may useful novel biopharmaceuticals.

Language: Английский

Citations

6

Investigating the Impact of Irrigation Water Quality on Secondary Metabolites and Chemical Profile of Mentha piperita Essential Oil: Analytical Profiling, Characterization, and Potential Pharmacological Applications DOI Creative Commons
Mounir Haddou, Mohamed Taibi, Amine Elbouzidi

et al.

International Journal of Plant Biology, Journal Year: 2023, Volume and Issue: 14(3), P. 638 - 657

Published: July 25, 2023

This study examines the impact of irrigation water quality on synthesis secondary metabolites and chemical composition Mentha piperita essential oil (MPEO). Three oils from plants, irrigated with different sources commonly used for mint in Morocco’s Oriental region, were analyzed. The characterized based various parameters, such as nitrites, nitrates, orthophosphates, oxygen demand (COD), biological (BOD5), pH, electrical conductivity. extracted using hydrodistillation, their was determined gas chromatography coupled mass spectrometry (GC/MS), revealing notable variations among compositions three oils. In this study, silico tests Prediction Activity Spectra Substances (PASS) algorithm; absorption, distribution, metabolism, excretion (ADME) model; Pro-Tox II conducted to evaluate drug-likeness, pharmacokinetic properties, expected safety profile upon ingestion, potential pharmacological activity identified compounds MPEO. antioxidant MPEOs assessed through a 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay total (TAC) method. Additionally, antimicrobial effectiveness tested against four bacterial strains (Staphylococcus aureus, Micrococcus luteus, Escherichia coli, Pseudomonas aeruginosa) fungal (Candida glabrata, Rhodotorula glutinis, Penicillium digitatum, Aspergillus niger), demonstrating moderate strong activities strains. concludes that regulating can enhance production specific metabolites, making them potentially valuable antioxidants agents.

Language: Английский

Citations

16

Exploring Medicinal Herbs’ Therapeutic Potential and Molecular Docking Analysis for Compounds as Potential Inhibitors of Human Acetylcholinesterase in Alzheimer’s Disease Treatment DOI Creative Commons

Ayoub Farihi,

Mohamed Bouhrim, Fatiha Chigr

et al.

Medicina, Journal Year: 2023, Volume and Issue: 59(10), P. 1812 - 1812

Published: Oct. 12, 2023

Background and Objectives: Alzheimer’s disease (AD) stands as a pervasive neurodegenerative ailment of global concern, necessitating relentless pursuit remedies. This study aims to furnish comprehensive exposition, delving into the intricate mechanistic actions medicinal herbs phytochemicals. Furthermore, we assess potential these compounds in inhibiting human acetylcholinesterase through molecular docking, presenting encouraging avenues for AD therapeutics. Materials Methods: Our approach entailed systematic exploration phytochemicals like curcumin, gedunin, quercetin, resveratrol, nobiletin, fisetin, berberine, targeting their capability (AChE) inhibitors, leveraging PubChem database. Diverse bioinformatics techniques were harnessed scrutinize ADMET (absorption, distribution, metabolism, excretion, toxicity), adherence Lipinski’s rule five. Results: Results notably underscored substantial binding affinities all ligands with specific amino acid residues within AChE. Remarkably, gedunin exhibited superior affinity (−8.7 kcal/mol) compared reference standard. Conclusions: These outcomes accentuate seven viable candidates oral medication treatment. Notably, both resveratrol berberine demonstrated capacity traverse blood-brain barrier (BBB), signaling aptitude central nervous system targeting. Consequently, molecules are considered orally druggable, potentially surpassing efficacy conventional drug, donepezil, managing disorders.

Language: Английский

Citations

15

The antioxidant and anticancer activity of Quercus coccifera plant leaves extracts DOI Creative Commons
Saif Aldeen Jaber

Saudi Journal of Biological Sciences, Journal Year: 2024, Volume and Issue: 31(5), P. 103979 - 103979

Published: March 11, 2024

Quercus species are one of the medicinal plants that commonly used in treatment different diseases. coccifera (Q. coccifera) is part which grow Jordan and traditional folklore medicine. The aim this study to confirm ability leaves extracts exert anticancer activity. In study, an extraction method dried-leaves using polarity solvents was used. Extracts were pre-evaluated for antioxidant activities while active measure half maximal effective concentration (EC50) against 2,2-Diphenyl-1-picrylhydrazyl (DPPH), Half-maximal inhibitory (IC50) cancer cells. Methanol, boiled microwaved water had greater than 80 % activity, strongest more 99 %, extract. Similarly, pre-evaluation treatments cell lines indicated a strong biological activity 70 from previously mentioned extracts, highest 90 all lines. EC50 DPPH obtained by 0.009 mg/ml lower positive control quercetin. same manner, lung, breast, prostate highly affected with IC50 14.1, 7.2, 25.1 µg/ml, respectively, selectivity index (SI) 4.71. Q. show promising be source new therapeutics.

Language: Английский

Citations

5

Isolation of Arborescin from Artemisia absinthium L. and Study of Its Antioxidant and Antimicrobial Potential by Use of In Vitro and In Silico Approaches DOI Creative Commons
Asmae Hbika, Amine Elbouzidi, Mohamed Taibi

et al.

Separations, Journal Year: 2024, Volume and Issue: 11(7), P. 209 - 209

Published: July 5, 2024

This study focused on developing an innovative, straightforward, and economical method utilizing a mixture of readily available solvents to extract arborescin (C2OH2OO8) crystals from Artemisia absinthium L. (A. absinthium). The structural elucidation characterization were conducted using suite techniques including IR spectroscopy, CNHSO elemental analysis, scanning electron microscopy energy dispersive X-ray spectroscopy (SEM-EDS), mass (MS). Density functional theory (DFT) calculations employed determine the molecular properties. Antioxidant activity was measured DPPH radical scavenging assay β-carotene bleaching test. Antimicrobial efficacy assessed against four bacterial strains three fungal strains. docking approach predict probable binding patterns affinities with specific target biomolecules. Employing array analytical techniques, examination isolated crystal A. absinthium. led its comprehensive elucidation. revealed presence distinctive groups, carbonyl group within γ-lactone epoxy group. analysis verified that contained only carbon, hydrogen, oxygen, finding corroborated by SEM-EDS consistent structure arborescin. Additionally, spectrometry confirmed identity compound as arborescin, ion m/z = 248. Quantum-Chemical Descriptors is resistant elementary decomposition under standard conditions. Although demonstrates relatively low antioxidant capacity, IC50 5.04 ± 0.12 mg/mL in assay, test found be 3.64%. Remarkably, effectively inhibits growth Staphylococcus aureus Listeria innocua at concentrations (MIC 166 µg/mL). it exhibits significant antifungal Candida glabrata, minimum inhibitory concentration (MIC) fungicidal (MFC) 83 µg/mL µg/mL, respectively. In this study, exhibited robust score −8.1 kcal/mol, indicating higher affinity compared ciprofloxacin. suggests has potential potent antibacterial agent.

Language: Английский

Citations

5

The Bioactive Properties of Carotenoids from Lipophilic Sea buckthorn Extract (Hippophae rhamnoides L.) in Breast Cancer Cell Lines DOI Creative Commons
Simona Vișan, Olga Şoriţău, Corina Tatomir

et al.

Molecules, Journal Year: 2023, Volume and Issue: 28(11), P. 4486 - 4486

Published: June 1, 2023

In women, breast cancer is the most commonly diagnosed (11.7% of total cases) and leading cause death (6.9%) worldwide. Bioactive dietary components such as Sea buckthorn berries are known for their high carotenoid content, which has been shown to possess anti-cancer properties. Considering limited number studies investigating bioactive properties carotenoids in cancer, aim this study was investigate antiproliferative, antioxidant, proapoptotic saponified lipophilic extract (LSBE) two cell lines with different phenotypes: T47D (ER+, PR+, HER2-) BT-549 (ER-, PR-, HER2-). The antiproliferative effects LSBE were evaluated by an Alamar Blue assay, extracellular antioxidant capacity through DPPH, ABTS, FRAP assays, intracellular a DCFDA apoptosis rate assessed flow cytometry. inhibited proliferation cells concentration-dependent manner, mean IC50 16 µM. proven be good both at level, due its ability significantly decrease ROS levels (p = 0.0279 T47D, p 0.0188 BT-549), where ABTS DPPH inhibition vried between 3.38-56.8%, respectively 5.68-68.65%, 35.6 mg/L equivalent ascorbic acid/g recorded. Based on results from found have activity rich content. cytometry revealed that treatment induced significant alterations late-stage apoptotic represented 80.29% 0.0119), 40.6% 0.0137). cells, further should whether these compounds could used nutraceuticals therapy.

Language: Английский

Citations

11