Antibacterial Activity of Oregano (Origanum vulgare L.) Essential Oil Vapors against Microbial Contaminants of Food-Contact Surfaces.

The antimicrobial effect of eight essential oils' vapors against pathogens and spoilage bacteria was assayed. Oreganum vulgare L. essential oil (OVO) showed a broad antibacterial effect, with Minimum Inhibitory Concentration (MIC) values ranging from 94 to 754 µg cm-3 air, depending on the bacterial species. Then, gaseous OVO was used for the treatment of stainless steel, polypropylene, and glass surfaces contaminated with four bacterial pathogens at 6-7 log cfu coupon-1. No viable cells were found after OVO treatment on all food-contact surfaces contaminated with all pathogens, with the exception of Sta. aureus DSM 799 on the glass surface. The antimicrobial activity of OVO after the addition of beef extract as a soiling agent reduced the Sta. aureus DSM 799 viable cell count by more than 5 log cfu coupon-1 on polypropylene and glass, while no viable cells were found in the case of stainless steel. HS-GC-MS analysis of the headspace of the boxes used for the antibacterial assay revealed 14 different volatile compounds with α-Pinene (62-63%), and p-Cymene (21%) as the main terpenes. In conclusion, gaseous OVO could be used for the microbial decontamination of food-contact surfaces, although its efficacy needs to be evaluated since it depends on several parameters such as target microorganisms, food-contact material, temperature, time of contact, and relative humidity.

Antibacterial Activity of Defensive Secretions from the Lace Bug Stephanitis svensoni (Drake) (Hemiptera: Tingidae).

Nymphs of Stephanitis svensoni (Drake) (Hemiptera: Tingidae) have numerous glandular setae on their dorsal abdomens. Chemical analysis of the exudates from these setae revealed the presence of 11 compounds, including aliphatic aldehydes, aliphatic ketones, and aromatic polyketides. Among them, 3-oxododecanal, 5-hydroxy-2-heptylchromanone, and 5-hydroxy-2-undecanylchromanone were identified for the first time in the family Tingidae. Previous research has suggested that secretions from nymphs of the genus Stephanitis, belonging to the family Tingidae, function as defensive substances against predators. The exudates of S. svensoni showed antibacterial activity against the Gram-positive bacterium Staphylococcus aureus. Antibacterial tests conducted using preparations of the 10 identified compounds showed antibacterial activity in 3-oxododecanal, 2,6-dihydroxyacetophenone, and 1-(2,6-dihydroxyphenyl)dodecan-1-one. In addition, antibacterial tests against the Gram-negative bacterium Escherichia coli showed activity in 2,6-dihydroxyacetophenone and 1-(2,6-dihydroxyphenyl)dodecan-1-one. Therefore, 2,6-dihydroxyacetophenone and 1-(2,6-dihydroxyphenyl)dodecan-1-one exhibited a wide antibacterial spectrum. Particularly, 1-(2,6-dihydroxyphenyl)dodecan-1-one, which showed antibacterial activity even at low concentrations, holds promise as lead drug compound.

Quality criteria, chemical composition and antimicrobial activity of the essential oil of Mentha suaveolens Ehrh.

The aim of the present study is the valorization of the essential oil of Mentha suaveolens Ehrh. The research plan and methods included 3-axis: the first axis consists of studying the organoleptic and physicochemical characterization of the essential oil, the second is the chemical analysis carried out by Gas Chromatography/Mass Spectrometry (GC/MS) and the third consists of evaluating its antimicrobial activity against selected microorganisms. The results obtained for the organoleptic and physicochemical properties are as follows: appearance: Liquid, mobile and clear, odor: Strong odor characteristic of Mentha suaveolens Ehrh, color: Pale yellow; relative density (0.92), miscibility with ethanol (1V/2V), freezing point (Tfreezing < -10 °C), refractive index (1.5256), rotating power (+0.825), acid index (1.68), ester index (68.44), saponification index (70.13) and iodine index (12.05).Chemical analysis identified 69 compounds which are mostly oxygenated monoterpenes such as piperitenone oxide (32.55%), pulegone (10.14%), piperitone oxide (8.34%), etc. The microbiological tests were carried out by an agar diffusion test using the essential oil of Mentha suaveolens Ehrh. The microbiological tests were carried out by a diffusion test on agar, these tests are carried out on six microbial strains (five bacteria and one yeast).The inhibitory effect of our oil is well marked against bacteria: Proteus mirabilis (17.50 ± 0.70 mm at 50 µL/mL), Enterococcus faecalis (17.00 ± 1.00 mm at 50 µL/mL) and Staphylococcus coagulase negative (16.33 ± 0.57 mm at 50 µL/mL) while it was moderate against Escherichia coli (14.33 ± 1.15 mm at 50 µL/mL) and Streptococcus spp (13.00 ± 0.00 mm at 50 µL/mL) as well as against yeast, Candida albicans (15.33 ± 1.52 mm at 50 µL/mL). It appears from these results that our oil is of high quality and can be used in several areas. The results obtained are therefore promising and thus open the way for manufacturers to use this essential oil of Mentha suaveolens Ehrh in the pharmaceutical, cosmetic, agricultural and food industries.

GC-MS analysis and anti-oxidant activity of bioactive compounds of Simarouba glauca leaf extracts.

The aim of this study is to analyse the phytochemical composition, anti-oxidant activity, FT-IR and GC-MS analysis of Simarouba glauca leaf extracts. The chloroform extract exhibited highest T.P.C. (139.82 ± 0.06 mg/g GAE) and highest T.F.C. (41.95 ± 0.50 mg/g QE). The GC-MS analysis confirmed the presence of ten compounds in acetone extract and twenty-two compounds in methanol extract. The GC-MS analysis of acetone fraction showed the major peaks such as Glycerine (13.20%), 1,1,1-trichloro-2-methyl-2-propanol (8.92%), Cyclohexanol,2-methyl-5-(1-methylethenyl)- (6.09%), Tetradecane, 2,6,10-trimethyl (7.68%) and Phytol (7.53%). Some of these compounds exhibit anti-oxidant activities. GC-MS analysis of methanol fraction exhibited the presence of following compounds: Undecane (8.52%), 2,3-Trimethylene-4-pyrone (1.79%), cis-Sinapyl alcohol (2.33%) and Umckalin (1.19%). The acetone and methanol fractions exhibited higher percentage of inhibition in DPPH assay. The overall results of this study indicate that the acetone and methanol fractions have been demonstrated to be efficacious against various diseases.

Cytotoxicity and Multi-Enzyme Inhibition of Nepenthes miranda Stem Extract on H838 Human Non-Small Cell Lung Cancer Cells and RPA32, Elastase, Tyrosinase, and Hyaluronidase Proteins.

The carnivorous pitcher plants of the genus Nepenthes have long been known for their ethnobotanical applications. In this study, we prepared various extracts from the pitcher, stem, and leaf of Nepenthes miranda using 100% ethanol and assessed their inhibitory effects on key enzymes related to skin aging, including elastase, tyrosinase, and hyaluronidase. The cytotoxicity of the stem extract of N. miranda on H838 human lung carcinoma cells were also characterized by effects on cell survival, migration, proliferation, apoptosis induction, and DNA damage. The cytotoxic efficacy of the extract was enhanced when combined with the chemotherapeutic agent 5-fluorouracil (5-FU), indicating a synergistic effect. Flow cytometry analysis suggested that the stem extract might suppress H838 cell proliferation by inducing G2 cell cycle arrest, thereby inhibiting carcinoma cell proliferation. Gas chromatography-mass spectrometry (GC-MS) enabled the tentative identification of the 15 most abundant compounds in the stem extract of N. miranda. Notably, the extract showed a potent inhibition of the human RPA32 protein (huRPA32), critical for DNA replication, suggesting a novel mechanism for its anticancer action. Molecular docking studies further substantiated the interaction between the extract and huRPA32, highlighting bioactive compounds, especially the two most abundant constituents, stigmast-5-en-3-ol and plumbagin, as potential inhibitors of huRPA32's DNA-binding activity, offering promising avenues for cancer therapy. Overall, our findings position the stem extract of N. miranda as a promising source of natural compounds for anticancer therapeutics and anti-skin-aging treatments, warranting further investigation into its molecular mechanisms and potential clinical applications.

Exploring the Therapeutic Potential of Ammodaucus leucotrichus Seed Extracts: A Multi-Faceted Analysis of Phytochemical Composition, Anti-Inflammatory Efficacy, Predictive Anti-Arthritic Properties, and Molecular Docking Insights.

Ammodaucus leucotrichus exhibits promising pharmacological activity, hinting at anti-inflammatory and anti-arthritic effects. This study investigated seed extracts from Ammodaucus leucotrichus using methanol and n-hexane, focusing on anti-inflammatory and anti-arthritic properties. The methanol extract outperformed the n-hexane extract and diclofenac, a reference anti-inflammatory drug, in trypsin inhibition (85% vs. 30% and 64.67% at 125 µg/mL). For trypsin inhibition, the IC50 values were 82.97 µg/mL (methanol), 202.70 µg/mL (n-hexane), and 97.04 µg/mL (diclofenac). Additionally, the n-hexane extract surpassed the methanol extract and diclofenac in BSA (bovine serum albumin) denaturation inhibition (90.4% vs. 22.0% and 51.4% at 62.5 µg/mL). The BSA denaturation IC50 values were 14.30 µg/mL (n-hexane), 5408 µg/mL (methanol), and 42.30 µg/mL (diclofenac). Gas chromatography-mass spectrometry (GC-MS) revealed 59 and 58 secondary metabolites in the methanol and n-hexane extracts, respectively. The higher therapeutic activity of the methanol extract was attributed to hydroxyacetic acid hydrazide, absent in the n-hexane extract. In silico docking studies identified 28 compounds with negative binding energies, indicating potential trypsin inhibition. The 2-hydroxyacetohydrazide displayed superior inhibitory effects compared to diclofenac. Further mechanistic studies are crucial to validate 2-hydroxyacetohydrazide as a potential drug candidate for rheumatoid arthritis treatment.

Identification of phytoconstituents from Dicliptera paniculata and study of antibacterial activity guided by molecular docking.

According to WHO, antibiotic resistance is one of the biggest healthcare challenges to the global community. Therefore, it is absolutely essential to discover new antibiotics to address the challenge. Dicliptera paniculata (ForssK.) I. Darbysh, a rare medicinal herb of Acanthaceae, is known for its noteworthy uses as a flavoring, spicing, and antibacterial agent. The primary goal of the study is to identify novel antibacterials from D. paniculata. The petroleum ether fraction of the methanol extract of D. paniculata was subjected to GC-MS and identified 14 compounds. Several bacterial target proteins were used for molecular docking. The antibacterial activity of petroleum-ether fraction was evaluated on bacteria whose target protein interacts most strongly with identified molecules. The molecules DP_02, DP_06, and DP_14 exhibited the highest docking scores with Staphylococcus aureus dihydrofolate reductase, which were - 6.283, - 7.705, and - 6.364 kcal/mol, respectively. The MM-GBSA binding energy of compounds DP_02, DP_06, and DP_14 were - 46.736, - 42.366, and - 35.734 kcal/mol, respectively. The MM-GBSA binding energy and decent docking score of the compounds DP_02 and DP_06 were both encouraging, and both of the compounds are drug-like. The finding was validated through studies on antibacterial effectiveness against S. aureus and showed encouraging results. These two molecules might serve as the building blocks for the future development of potent antibiotics.

Simultaneous removal of aliphatic and aromatic crude oil hydrocarbons by Pantoea agglomerans isolated from petroleum-contaminated soil in the west of Iran.

Hydrocarbons are considered as one of the most common and harmful environmental pollutants affecting human health and the environment. Bioremediation as an environmentally friendly, highly efficient, and cost-effective method in remediating oil-contaminated environments has been interesting in recent decades. In this study, hydrocarbon degrader bacterial strains were isolated from the highly petroleum-contaminated soils in the Dehloran oil field in the west of Iran. Out of 37 isolates, 15 can grow on M9 agar medium that contains 1.5 g L-1 of crude oil as the sole carbon source. The morphological, biochemical, and 16SrRNA sequencing analyses were performed for the isolates. The choosing of the isolates as the hydrocarbon degrader was examined by evaluating the efficacy of their crude oil removal at a concentration of 10 g L-1 in an aqueous medium. The results showed that five isolates belonging to Pseudomonas sp., Pseudomonas oryzihabitans, Roseomonas aestuarii, Pantoea agglomerans, and Arthrobacter sp. had a hyper hydrocarbon-degrading activity and they could remove more than 85% of the total petroleum hydrocarbon (TPH) after 96 h. The highest TPH removal of about 95.75% and biodegradation rate of 0.0997 g L-1 h-1 was observed for P. agglomerans. The gas chromatography-mass spectroscopy (GC-MS) analysis was performed during the biodegradation process by P. agglomerans to detect the degradation intermediates and final products. The results confirmed the presence of intermediates such as alcohols and fatty acids in the terminal oxidation pathway of alkanes in this biodegradation process. A promising P. agglomerans NB391 strain can remove aliphatic and aromatic hydrocarbons simultaneously.

Citrus reticulata peel extract mitigates oxidative stress and liver injury induced by abamectin in rats.

The prevalent use of abamectin (ABM) has latterly raised safety attention as it has different toxicities to non-target living organisms. Citrus fruits are widely renowned for their nutritional and health-promoting qualities, and their peels are full of phenolic constituents. The purpose of the current study was to evaluate the modulatory effectiveness of Citrus reticulata peel extract (CPE) against abamectin-induced hepatotoxicity and oxidative injury. Rats were distributed into 4 groups as follows: control, CPE (400 mg/kg bw orally for 14 days), ABM (2 mg/kg bw for 5 days), and CPE + ABM at the doses mentioned above. Results revealed that GC-MS analysis of CPE has 19 identified components with significant total phenolic and flavonoid contents. Treatment with ABM in rats displayed significant variations in enzymatic and non-enzymatic antioxidants, oxidative stress markers (MDA, H2O2, PCC), liver and kidney function biomarkers, hematological parameters, lipids, and protein profile as well as histopathological abnormalities, inflammation and apoptosis (TNF-α, Caspase-3, NF-κB, and Bcl-2 genes) in rats' liver. Supplementation of CPE solo dramatically improved the antioxidant state and reduced oxidative stress. C. reticulata peel extract pretreatment alleviated ABM toxicity by modulating most of the tested parameters compared to the ABM group. Conclusively, CPE had potent antioxidant activity and could be used in the modulation of ABM hepatotoxicity presumably due to its antioxidant, anti-inflammatory, and gene-regulating capabilities.

Enhanced photocatalytic degradation of polycyclic aromatic hydrocarbons (PAHs) Using NiO nanoparticles.

The oncogenic and genetic properties of anthracene, a member of the polycyclic aromatic hydrocarbons (PAHs) family, pose a significant health threat to humans. This study aims to investigate the photocatalytic decomposition of anthracene under various conditions, such as different concentrations of PAHs, varying amounts of NiO (nickel oxide) nanoparticles, and different pH levels under ultraviolet light and sunlight. The synthesized NiO nanoparticles showed surface plasma resonance at 230 and 360 nm, while XRD and SEM analysis confirmed the nanoparticles were cubic crystalline in structure with sizes ranging between 37 and 126 nm. NiO nanoparticles exhibited 79% degradation of pyrene at 2 µg/mL of anthracene within 60 min of treatment. NiO at 10 µg/mL concentration showed significant adsorption of 57%, while the adsorption method worked efficiently (72%) at 5 pH. Photocatalytic degradation was confirmed by isotherm and kinetic studies through monolayer adsorption and pseudo-first-order kinetics. Further, the absorption process was confirmed by performing GC-MS analysis of the NiO nanoparticles. On the other hand, NiO nanoparticles showed antimicrobial activity against Gram negative and Gram-positive bacteria. Therefore, the present work is one of its kind proving the dual application of NiO nanoparticles, which makes them suitable candidates for bioremediation by treating PAHs and killing pathogenic bacteria.

Identification of the potential phytocompounds from Endostemon viscosus against GAPDH : a computational approach.

Oxidative stress is a phenomenon caused by an imbalance between the production and accumulation of reactive oxygen species (ROS) in cells and tissues and the ability of the biological system to detoxify these reactive products. Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) is one of the most common targets of oxidative stress, and the oxidation of the enzymes causes the inactivation of Glyceraldehyde-3-phosphate dehydrogenase (GAPDH), and the formation of disulfide bonds between molecules, leading to aggregates, and eventually to cell death. Inhibition of GAPDH enzymatic activity was due to the formation of a disulfide bond between Cys-149, Cys-152, and Cys-156, which forms a structural reorganization of GAPDH. In addition, Cys-152 specifically prevents oligomerization and aggregation of GAPDH by blocking the cysteine residue and counteracting its oxidative modifications. The present study aimed to investigate the chemical composition of methanolic solvent and the essential oil extracted from the aerial part of Endostemon viscosus by GC-MS, and to evaluate its antioxidant properties against Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) aggregation through molecular docking. The volatile chemical compounds were analyzed by gas chromatography-mass spectrometry (GC-MS), and the metabolites prepared for molecular docking analysis against the GAPDH protein were done using Schrödinger software. According to the results of molecular docking, DFT analysis, ADME and MD simulation for the compounds, p-Methoxyheptanophenone (methanolic extract) and sclareol (essential oil extract) interacted with Cys-152 residues with a better glide score and obtained fine stability through MD studies. Overall, the study suggests that the GC-MS compounds from the methanolic solvent and oil from Endostemon viscosus exhibited prominent antioxidant properties against GAPDH. Supplementary Information: The online version contains supplementary material available at 10.1007/s40203-023-00183-z.

Efficient Capture of Cannabis Terpenes in Olive Oil during Microwave-Assisted Cannabinoid Decarboxylation.

The development of selective extraction protocols for Cannabis-inflorescence constituents is still a significant challenge. The characteristic Cannabis fragrance can be mainly ascribed to monoterpenes, sesquiterpenes and oxygenated terpenoids. This work investigates the entrapment of Cannabis terpenes in olive oil from inflorescences via stripping under mild vacuum during the rapid microwave-assisted decarboxylation of cannabinoids (MW, 120 °C, 30 min) and after subsequent extraction of cannabinoids (60 and 100 °C). The profiles of the volatiles collected in the oil samples before and after the extraction step were evaluated using static headspace solid-phase microextraction (HS-SPME), followed by gas chromatography coupled to mass spectrometry (GC-MS). Between the three fractions obtained, the first shows the highest volatile content (~37,400 mg/kg oil), with α-pinene, ß-pinene, ß-myrcene, limonene and trans-ß-caryophyllene as the main components. The MW-assisted extraction at 60 and 100 °C of inflorescences using the collected oil fractions allowed an increase of 70% and 86% of total terpene content, respectively. Considering the initial terpene amount of 91,324.7 ± 2774.4 mg/kg dry inflorescences, the percentage of recovery after decarboxylation was close to 58% (mainly monoterpenes), while it reached nearly 100% (including sesquiterpenes) after extraction. The selective and efficient extraction of volatile compounds, while avoiding direct contact between the matrix and extraction solvents, paves the way for specific applications in various aromatic plants. In this context, aromatized extracts can be employed to create innovative Cannabis-based products within the hemp processing industry, as well as in perfumery, cosmetics, dietary supplements, food, and the pharmaceutical industry.

Antimycobacterial potential of Trachyspermum ammi seed essential oil via fume contact and determination of major compounds.

Trachyspermum ammi (L.), commonly known as carrom seeds or Ajwain, has been extensively studied for its medicinal properties. In this study, anti-mycobacterial effect of AEO in liquid and fume form was investigated against Mycobacterium smegmatis and Mycobacterium tuberculosis (M. tb). Results showed that AEO inhibits the growth of M. smegmatis at 0.03 mg/mL and becomes bactericidal at 0.125 mg/mL. MICs were observed at 0.03, 0.125 and 0.06 mg/mL against M. tb (H37Rv), isoniazid- and rifampicin-resistant (RIF-R) strains. Inverted disc-fume assay revealed AEO and Thymol efficiently inhibit the growth of M. smegmatis and M. tb. Similarly, in fume contact AEO and Thymol demonstrated antibiofilm activity at a dose of 1.25 mg/mL air and 40 mg/mL air against M.smegmatis effectively. GC-MS analysis showed that Thymol was the dominant compound. These findings suggest that the use of AEO in fume form may serve as a promising strategy as an anti-mycobacterial activity against M. tb.

Phytochemical profiling, antibacterial and antioxidant potential of different parts of invasive plant Sonchus wightianus DC.

The aim of the present investigation was to elucidate the phytochemical characterisation, antimicrobial and antioxidant efficacies of methanol extracts of leaf, stem, and root parts of S. wightianus. The phytochemical characterisation by GC-MS analysis revealed the presence of different phytocompounds such as Lupenone (38.02% in leave extract), Leupeyl acetate (33.43% in root extract), 24- Noursa -3, 12- diene (27.16% stem extract). S. wightianus methanol extracts demonstrate IC50, 8.52 µg/ml, 7.72 µg/ml and 9.08 µg/ml using DPPH, FRAP and MCA scavenging assay, respectively. The antibacterial activity of different methanol extracts was evaluated against four microorganisms with a mean zone diameter of inhibition ranging from 13 to 19 mm. For quantitative phytochemical analysis, the highest Total Phenolic Content (TPC) and Total Flavonol Content (TFC-2) were found for steam methanol extract (321.7 mg GAE/g of dry extract, 162.4 mg QE/g of dry extract respectively).

Chromatographic analysis and antioxidant potency of the crude extract of Xanthium spinosum in various fractions.

Pharmacology experts place a high priority on therapeutic plants because the majority of pharmaceutical firms rely on medicinal plants as raw ingredients. Therefore, the potential bioactive components using gas chromatography-mass spectrometry analysis and antioxidant effects using DPPH free radical scavenging activity of various crude fractions of Xanthium spinosum were assessed. Gas chromatography-mass spectrometry analysis showed the presence of various bioactive compounds including benzenedicarboxylic acid (18.60%), 8-octadecenoic acid (4.86%), 11-octadecenoic acid and 10-octadecenoic acid in the crude methanolic extract, 1,2-benzenedicarboxylic acid, diisooctyl ester (14.42%), 1,2-benzenedicarboxylic acid, mono (2-ethylhexyl) ester (14.42%), 6-octadecenoic acid, methyl ester (7.56%), 8-octadecenoic acid, methyl ester (7.56%), 10-octadecenoic acid, methyl ester (7.56%) and hexadecanoic acid, methyl ester (6.55%) in the n-hexane extract, ethanal, 2-methyl-2-[4-(1-methylethyl)phenyl]-(3.02%), (+)-3-carene, 4-isopropenyl-(3.02%), 7H-indeno[5,6-b] furan-7-one, 4,4a,5,6,7a,8-hexahydro- (3.02%) and 2-[5-(2,2-dimethyl-6-methylene-cyclohexyl)-3-methyl-pent-2-enyl]-[1,4] benzoquinone (2.79%) in the chloroform extract and 1,2-benzenedicarboxylic acid, mono (2-ethylhexyl) ester (33.005%), 1,2-benzenedicarboxylic acid, diisooctyl ester (33.005%) and bis(2-ethylhexyl) phthalate (33.005%) in the ethyl acetate extract. Significant DPPH radical scavenging activity was exhibited by the chloroform fraction (43.37-88.65%) at all doses followed by the crude methanolic extract (36.02-83.75%) at all doses. In conclusion, different crude fractions of X. spinosum can be considered a rich source of pharmacologically active components that can be scoped for isolation and may be subjected to in-depth pharmacological study.

Antimicrobial and anti-diabetic efficiency of Polyalthia longifolia leaf extracts and major compounds characterization.

This research was performed to investigate the bactericidal and fungicidal competence of extracts (methanol and petroleum ether extract) of Polyalthia longifolia leaf. Moreover, the major active compounds present in the effective crude extract (either methanol or petroleum ether extract) was determined through initially with UV-Vis spectra, FTIR, and GC-MS analyses. The methanol extract alone showed remarkable bactericidal and fungicidal activity against the bacterial (S. pyogenes > E. coli > S. aureus > S. pneumoniae > C. difficile > P. aeruginosa) and fungal (A. clavatus > C. albicans > A. niger > A. fumigatus > C. tropicalis > C. auris) pathogens at increased concentration (12.5 mg mL-1) than petroleum ether extract. The MIC and MBC values of methanol extract were found as 10-20 mg mL-1 and 30-40 mg mL-1 respectively. The MFC value of methanol extract was found as 10-20 mg mL-1. These MIC, MBC, and MFC values of methanol extract were considerably greater than petroleum ether extract. The FTIR and GC-MS characterization studies revealed that the presence of more acre functional groups belonging to bioactive compounds such as Z)-7-Hexadecenal, Aromandendrene, α-Curcumene, Caryophyllene, Methyl 14-methyl Pentadecanoat, Methyl trans-13-Octadecenoate, 9-Octadecenoic acid (Z)-, and 2-hydroxy-1- (hydroxymethyl)ethyl. As a result of these findings, it is possible that P. longifolia leaf methanol extract contains medicinally important bioactive substances with bactericidal and fungicidal properties.

Delineating endogenous Cushing's syndrome by GC-MS urinary steroid metabotyping.

BACKGROUND: Diagnosing Cushing's syndrome (CS) is highly complex. As the diagnostic potential of urinary steroid metabolome analysis by gas chromatography-mass spectrometry (GC-MS) in combination with systems biology has not yet been fully exploited, we studied a large cohort of patients with CS. METHODS: We quantified daily urinary excretion rates of 36 steroid hormone metabolites. Applying cluster analysis, we investigated a control group and 168 patients: 44 with Cushing's disease (CD) (70% female), 18 with unilateral cortisol-producing adrenal adenoma (83% female), 13 with primary bilateral macronodular adrenal hyperplasia (PBMAH) (77% female), and 93 ruled-out CS (73% female). FINDINGS: Cluster-Analysis delineated five urinary steroid metabotypes in CS. Metabotypes 1, 2 and 3 revealing average levels of cortisol and adrenal androgen metabolites included patients with exclusion of CS or and healthy controls. Metabotype 4 reflecting moderately elevated cortisol metabolites but decreased DHEA metabolites characterized the patients with unilateral adrenal CS and PBMAH. Metabotype 5 showing strong increases both in cortisol and DHEA metabolites, as well as overloaded enzymes of cortisol inactivation, was characteristic of CD patients. 11-oxygenated androgens were elevated in all patients with CS. The biomarkers THS, F, THF/THE, and (An + Et)/(11ß-OH-An + 11ß-OH-Et) correctly classified 97% of patients with CS and 95% of those without CS. An inverse relationship between 11-deoxygenated and 11-oxygenated androgens was typical for the ACTH independent (adrenal) forms of CS with an accuracy of 95%. INTERPRETATION: GC-MS based urinary steroid metabotyping allows excellent identification of patients with endogenous CS and differentiation of its subtypes. FUNDING: The study was funded by the Else Kröner-Fresenius-Stiftung and the Eva-Luise-und-Horst-Köhler-Stiftung.

Analysis and comparison of bioactive phytochemical composition and antibacterial property of two Ethiopian indigenous medicinal plants.

Indigenous medicinal plants with naturally inherited antimicrobial properties are promising sources of antimicrobial agents. Two indigenous Ethiopian traditional medicinal plants (Rhamnus prinoide and Croton macrostachyus) extracted using different solvents and the yield percentage, phytochemical analysis and antimicrobial activity of the plant extracts were examined and compared. The results of this study revealed that Rhamnus prinoide leaf extract using aqueous methanol/ethanol (1 : 1) had the highest yield (15.12 %), a minimum inhibitory concentration of 0.625 mg/mL, and a minimum bactericidal concentration of 10 mg/mL against S. aureus. Croton macrostachyus leaves showed a yield of 14.7 ±0.37 %, a minimum inhibitory concentration of 40 mg/mL, and a minimum bactericidal concentration of 40 mg/mL against S. aureus and E. coli. GC-MS analysis revealed that aqueous methanol/ethanol (1 : 1) of Rhamnus prinoide and Croton macrostachyus leaf extracts were composed of bioactive carbohydrates, flavonoid acid phenols, and terpenoids, while Croton macrostachyus extract contained primarily phytol (30.08 %). The presence of bioactive compounds confirms the traditional use of these plant leaves to treat various diseases, including wounds, leading to the conclusion that they could be applied to textiles for wound dressing in future studies.

Chemical Composition of Essential Oils and Supercritical Carbon Dioxide Extracts from Amomum kravanh, Citrus hystrix and Piper nigrum 'Kampot'.

The fruits of Amomum kravanh, Citrus hystrix and Piper nigrum 'Kampot' are traditionally used as spices in Cambodian cuisine. In this study, the chemical composition of essential oils (EOs) and supercritical CO2 extracts from all three species was determined using GC-MS, with two columns of different polarity (HP-5/DB-HeavyWAX). Differences between the chemical profile of the EOs and CO2 extracts were observed for all species. The greatest difference was detected in A. kravanh EO containing mainly eucalyptol (78.8/72.6%), while the CO2 extract was rich in fatty acids (13/55.92%) and long-chain alkanes (25.55/9.54%). Furthermore, the results for the CO2 extract of this species differed, where tricosane (14.74%) and oleic acid (29.26%) were the main compounds identified when utilizing the HP-5 or DB-HeavyWAX columns, respectively. Moreover, the EO and CO2 extract from P. nigrum 'Kampot' fruits and the CO2 extract from C. hystrix fruit peel, containing respective amounts 34.84/39.55% (for EO) and 54.21/55.86% (for CO2 extract) of ß-caryophyllene and 30.2/28.9% of ß-pinene, were isolated and analyzed for the first time. Generally, these findings suggest that supercritical CO2 could potentially be used for the extraction of all three spices. Nevertheless, further research determining the most efficient extraction parameters is required before its commercial application.

Screening of phytochemicals from Clerodendrum inerme (L.) Gaertn as potential anti-breast cancer compounds targeting EGFR: an in-silico approach.

Breast cancer (BC) is the most prevalent malignancy among women around the world. The epidermal growth factor receptor (EGFR) is a tyrosine kinase receptor (RTK) of the ErbB/HER family. It is essential for triggering the cellular signaling cascades that control cell growth and survival. However, perturbations in EGFR signaling lead to cancer development and progression. Hence, EGFR is regarded as a prominent therapeutic target for breast cancer. Therefore, in the current investigation, EGFR was targeted with phytochemicals from Clerodendrum inerme (L.) Gaertn (C. inerme). A total of 121 phytochemicals identified by gas chromatography-mass spectrometry (GC-MS) analysis were screened against EGFR through molecular docking, ADMET analyses (Absorption, Distribution, Metabolism, Excretion, and Toxicity), PASS predictions, and molecular dynamics simulation, which revealed three potential hit compounds with CIDs 10586 [i.e. alpha-bisabolol (-6.4 kcal/mol)], 550281 [i.e. 2,(4,4-Trimethyl-3-hydroxymethyl-5a-(3-methyl-but-2-enyl)-cyclohexene) (-6.5 kcal/mol)], and 161271 [i.e. salvigenin (-7.4 kcal/mol)]. The FDA-approved drug gefitinib was used to compare the inhibitory effects of the phytochemicals. The top selected compounds exhibited good ADMET properties and obeyed Lipinski's rule of five (ROF). The molecular docking analysis showed that salvigenin was the best among the three compounds and formed bonds with the key residue Met 793. Furthermore, the molecular mechanics generalized born surface area (MMGBSA) calculations, molecular dynamics simulation, and normal mode analysis validated the binding affinity of the compounds and also revealed the strong stability and compactness of phytochemicals at the docked site. Additionally, DFT and DOS analyses were done to study the reactivity of the compounds and to further validate the selected phytochemicals. These results suggest that the identified phytochemicals possess high inhibitory potential against the target EGFR and can treat breast cancer. However, further in vitro and in vivo investigations are warranted towards the development of these constituents into novel anti-cancer drugs.Communicated by Ramaswamy H. Sarma.