Chemical composition and biological activity of lemongrass volatile oil and n-Hexane extract: GC/MS analysis, in vitro and molecular modelling studies

PLoS ONE, Год журнала: 2025, Номер 20(2), С. e0319147 - e0319147

Опубликована: Фев. 25, 2025

Lemon grass, formally identified as Cymbopogon citratus , is a plant that belongs to the Poaceae family. The present work aimed examine chemical composition by GC/MS analysis and assess biological potential of C. volatile oil n -hexane extract. extract were evaluated for antioxidant tested their enzyme inhibition against tyrosinase, butyrylcholinesterase (BChE), acetylcholinesterase (AChE), α -amylase, -glucosidase. lemongrass n-hexane (HE) (VO) revealed main constituents in HE are aliphatic hydrocarbons (42.98%), triterpenoids (20.14%), aromatic (17.25%). Conversely, predominantly monoterpenes, namely α-citral (36.08%), β -citral (34.22%), -myrcene (13.84%). showed more potent DPPH, ABTS, CUPRAC, FRAP, phosphomolybdenum (10.18, 35.69 mg Trolox equivalent/g, 98.97 69.73 equivalent/g 43.01 mmol equivalent/g). displayed higher BChE (1.53 Galanthamine equivalent)/g), well -amylase -glucosidase inhibitory activities (0.39 2.40 Acarbose VO demonstrated tyrosinase (57.19 Kojic acid equivalent/g) along with acetyl inhibition. Dominant compounds exhibited ability bind high affinity various target proteins, particular AChE BChE. show significant promise viable choice advancement novel therapeutic strategies at addressing oxidative stress, neurodegeneration, diabetes.

Язык: Английский

---

New Biological and Chemical Evidences of Two Lamiaceae Species (Thymbra capitata and Thymus sipyleus subsp. rosulans): In Vitro, In Silico and Ex Vivo Approaches

Molecules, Год журнала: 2022, Номер 27(24), С. 9029 - 9029

Опубликована: Дек. 18, 2022

In this study, the methanolic and infusion extracts of two species, Thymbra capitata Thymus sipyleus subsp. rosulans, were tested for their chemical composition biological abilities (antioxidant, enzyme inhibitory anti-inflammatory effects). The yielded total phenolic flavonoid contents in range 83.43-127.52 mg GAE/g 9.41-46.34 RE/g, respectively. HPLC analysis revealed rosmarinic acid to be a major component studied (15.85-26.43%). best ABTS radical scavenging ability was observed methanol extract T. with 379.11 TE/g, followed by sipylus (360.93 TE/g). CUPRAC assay, highest reducing also found 802.22 TE/g. phosphomolybdenum ranged from 2.39 3.61 mmol terms tyrosinase effects, (83.18-89.66 KAE/g) higher than water (18.74-19.11 KAE/g). Regarding BChE active on while showed no effect it. Overall, better inhibition compared extracts. Molecular docking selected exhibited potential binding affinities all enzymes, preference cholinesterases. Additionally, effective attenuating LPS-induced increase COX-2 IL-6 gene expression isolated colon, thus indicating promising effects. preliminary results study suggest that these species are good natural sources antioxidants provide some scope as inhibitors, most likely due bioactive such acids, can exploited different applications related health promotion disease prevention.

Язык: Английский

---

UPLC–ESI–QTOF–MS profiling, antioxidant, antidiabetic, antibacterial, anti-inflammatory, antiproliferative activities and in silico molecular docking analysis of Barleria strigosa

Chemical and Biological Technologies in Agriculture, Год журнала: 2023, Номер 10(1)

Опубликована: Авг. 7, 2023

Abstract Background This study investigated the in vitro antidiabetic, antioxidant, antibacterial, anti-inflammatory and antiproliferative effects of B. strigosa hydrophilic (BSTR) lipophilic (LSB) leaves extracts. The phytochemical profile was also performed using UHPLC–ESI–QTOF–MS. Results results indicated that BSTR LSB showed excellent antioxidant properties DPPH scavenging, ABTS FRAP MCA assays. extracts demonstrated α-glucosidase (81.56–157.56 µg/mL) α-amylase (204.44 inhibitory activities. In addition, significant cytotoxic against oral squamous carcinoma (CLS-354/WT) cancer cells. Furthermore, antibacterial activity Listeria monocytogenes , Vibrio parahaemolyticus Escherichia coli Pseudomonas aeruginosa Staphylococcus aureus . Both exhibited a reduction nitric oxide secretion activated macrophage UHPLC–MS analysis revealed is rich terpenoids, iridoid glycosides, flavonoids, phenolic compounds. plethora these compounds may be responsible for observed bioactive identified by UHPLC–ESI–QTOF–MS were analyzed silico molecular docking studies to determine binding affinity with α-glucosidase. Conclusions These suggest an pharmacological active plant it provides basis further on exploration its potentials oxidative stress induced disorders. Graphical

Язык: Английский

---

Traditional Uses, Pharmacology and Phytochemistry of the Medicinal Plant Flueggea virosa (Roxb. ex Willd.) Royle

Future Pharmacology, Год журнала: 2024, Номер 4(1), С. 77 - 102

Опубликована: Янв. 18, 2024

The white berry bush, officially Flueggea virosa (Roxb. ex Willd.) Royle is a medicinal plant distributed throughout tropical areas and traditionally used in Africa, India China. Root decoctions are to treat abdominal pain, whereas extracts from the aerial parts serve liver urinary diseases, inflammatory pathologies diabetes, among other pathologies. Plant have revealed antiparasitic, antimicrobial, antiepilepsy, antidiabetic, anticancer analgesic effects. Three main categories of phytochemicals were isolated F. virosa: polyphenols, with lead product bergenin; terpenoids, such as flueggenoids related podocarpane-type diterpenoids; many alkaloids derived securinine norsecurinine. A remarkable feature S. production norsecurinine oligomers, including macromolecular tetramers pentamers, fluevirosinines. most potent alkaloid family dimeric indolizidine flueggine B, which was identified potential binder α/β-tubulin dimer, known target for securinine. This review highlights diversity therapeutic benefits alkaloids. Studies encouraged further investigate properties compounds but also define finesse nutritional profile edible fruit.

Язык: Английский

---

Ternary composite nanoparticles to improve the water solubility and stability of resveratrol:Preparation, characterization and bioavailability

Food Chemistry, Год журнала: 2025, Номер 474, С. 143258 - 143258

Опубликована: Фев. 6, 2025

Язык: Английский

---

Study of the Medicinal Plant <i>Flueggea virosa</i>: Review on Its Uses and Some Phytochemical and Biological Properties for the Last Decade

American Journal of Plant Sciences, Год журнала: 2025, Номер 16(03), С. 378 - 397

Опубликована: Янв. 1, 2025

Язык: Английский

---

Chemical profiling and mechanistic insights into the antibacterial efficacy of Melaleuca cajuputi leaf extract

BMC Complementary Medicine and Therapies, Год журнала: 2025, Номер 25(1)

Опубликована: Март 29, 2025

The emergence of antimicrobial resistance and the prevalence bacterial infections have prompted search for novel antimicrobials with diverse therapeutic potential from natural products. Thus, this study investigated antibacterial efficacy leaf extracts M. cajuputi. Additionally, chemical composition mechanism action most active extract (MAE) were evaluated. activity cajuputi was assessed using broth microdilution assay. Scanning electron microscopy (SEM) used to investigate effects MAE on morphology cells. Meanwhile, analyzed Fourier transform infrared (FTIR) spectroscopy gas chromatography-mass spectrometry (GC-MS). AutoDock Vina molecular docking analysis unveil interactions between ligands sites target proteins. crude obtained through cold maceration. methanolic demonstrated significant activity, minimum inhibitory concentration (MIC) values spanning 0.25 mg/mL 2 mg/mL. After 12 h treatment 1 × MIC extract, bacteria showed discernible morphological alterations, including disrupted cell wall membrane integrity. Thirty compounds identified in subsequently subjected studies against Amongst compounds, methylanthracene, cycloisolongifolene, diphenyl imidazole, benzil monohydrazone, trimethoxybenzoic acid pronounced binding affinities towards Klebsiella pneumoniae protein (PDB ID: 5O79), peptide 7RJJ), Streptococcus agalactiae surface anchor 2XTL), pilin 3PHS), Staphylococcus aureus transglycosylase 3VMQ), penicillin-binding proteins 3VSK). energy scores these varied − 6.0 kcal/mol 7.5 kcal/mol. Molecular dynamics simulations validated stability interactions, reinforcing vitro findings disruption​. indicated that leaves displayed potent pneumoniae, S. agalactiae, aureus. reveals proteins, highlighting as a source anti-infectives targeting infections.

Язык: Английский

---

Extractions of aerial parts of Hippomarathrum scabrum with conventional and green methodologies: Chemical profiling, antioxidant, enzyme inhibition, and anti‐cancer effects

Journal of Separation Science, Год журнала: 2023, Номер 47(1)

Опубликована: Ноя. 22, 2023

Hippomarathrum scabrum L. is an endemic medicinal plant in Turkey; however, there have been few studies investigating the phytochemistry and biological properties of these plants has not investigated. The aim this work to determine chemical composition different extracts (extracts obtained by using supercritical carbon dioxide extraction, accelerated solvent homogenizer‐assisted microwave‐assisted ultrasound‐assisted extraction from L., evaluate their properties. analysis revealed that 5‐ O ‐caffeoylquinic acid, rutin, isorhamnetin 3‐O‐rutinoside were main bioactive compounds. extract contains highest concentration ‐Caffeoylquinic acid (7616.74 ± 63.09 mg/kg dry extract) followed (6682.53 13.04 extract). In antioxidant tests, all expressed significant activity. Also, cytotoxic anticancer effects detected human prostate cancer cell line. Intrinsic apoptotic genes up‐regulated anti‐apoptotic down‐regulated cells after inhibition dose treatment. findings are promising, suggest use could be used as natural sources with activities, well agents.

Язык: Английский

---

Chemical Characterization and Multidirectional Biological Effects of Different Solvent Extracts of Arum elongatum: in Vitro and in Silico Approaches

Chemistry & Biodiversity, Год журнала: 2023, Номер 20(4)

Опубликована: Март 9, 2023

Arum elongatum (Araceae) is widely used traditionally for the treatment of abdominal pain, arterial hypertension, diabetes mellitus, rheumatism and hemorrhoids. This study investigated antioxidant properties, individual phenolic compounds, total flavonoid contents (HPLC/MS analysis), reducing power metal chelating effects four extracts obtained from A. (ethyl acetate (EA), methanol (MeOH), methanol/water (MeOH/water) infusion). The inhibitory activity were also determined against acetylcholinesterase, butyrylcholinesterase, tyrosinase, amylase glucosidase enzymes. MeOH/water contained highest amount (28.85 mg GAE/g) while content was with MeOH extract (36.77 RE/g). demonstrated DPPH⋅ radical at 38.90 Trolox equivalent per gram. infusion most active ABTS+ ⋅ (133.08 TE/g). showed abilities CUPRAC value 102.22 TE/g FRAP 68.50 TE/g. A strong effect observed (35.72 EDTAE/g). PBD values ranged 1.01 to 2.17 mmol EA displayed AChE (2.32 GALAE/g), BChE (3.80 α-amylase (0.56 ACAE/g) α-glucosidase (9.16 Infusion tyrosinase enzyme a 83.33 KAE/g. 28 compounds identified different extracts. present in concentration chlorogenic acids, 4-hydroxybenzoic acid, caffeic p-coumaric ferulic isoquercitrin, delphindin 3,5-diglucoside, kaempferol-3-glucoside hyperoside. biological activities could be due presence such as gallic ellagic epicatechin, catechin, kaempferol, quercetin, Extracts promising which warrants further investigations an endeavor develop biopharmaceuticals.

Язык: Английский

---

Unveiling the potential antibacterial mechanism of Melaleuca cajuputi leaf extract by cell morphology studies and molecular docking analysis

Advances in Traditional Medicine, Год журнала: 2024, Номер unknown

Опубликована: Июнь 4, 2024

Язык: Английский

---