Major Compounds Research Articles

A phytochemical content analysis, and antioxidant activity evaluation using a novel method on Melilotus officinalis flower

Conducting content analysis is very important to elucidate and expand the different usage areas of plant components. Today's content analysis methods provide very reliable results. However, the high cost of these methods and the need for trained personnel bring other challenges. Therefore, simple, fast, and low-cost content analysis methods are a great need. In this study, the phenolic content of Melilotus officinalis flower extracts was investigated using LC-MS/MS analysis, and its antioxidant activity was determined with a novel method employing a PVC membrane sensor. In the method, for the first time, the antioxidant activities of M. officinalis flowers were determined in an economical, sensitive, fast, and stable manner using a PVC potentiometric sensor. Sensor measurements were performed using DPPH and FCR molecules, resulting in 25.71 mg.g-1 activity values and 117.524 mg.g-1, respectively. LC-MS/MS analysis was conducted to investigate the presence of 45 standard phenolic compounds in M. officinalis. The results revealed that coumarin and isoquercitrin were the major phenolic compounds in the M. officinalis flower extract. The findings of LC-MS/MS analyses of the extracts show moderate phenolic content presence in the M. officinalis flower extracts. The total phenolic content determined by LC-MS/MS analysis was consistent with the PVC membrane sensor analysis results. The studies of molecular docking aimed to identify the most effective active sites, and the Moldock scores (-57.13, -105.93) and binding energies (4.5 kcal.mol-1, -7.9 kcal.mol-1) of coumarin and isoquercitrin molecules. The results of molecular docking studies suggest that isoquercitrin exhibits a stronger inhibitory effect on DD-peptidase enzymes compared to coumarin.

A Synergistic Interaction Between Citrus Hystrix Peel Essential Oil and Tetracycline and Evaluation of their Antibacterial Mechanism of Action in Vitro and in Silico Against Escherichia Coli.

Citrus hystrix essential oil (CHEO) have shown various pharmacological properties including antibacterial activity. This EO also possessed antibacterial effect against foodborne pathogens. There is less information available about the synergy interaction between CHEO and tetracycline, as well as their mechanism of action. Therefore, this study was conducted to evaluate the synergistic effect of CHEO and tetracycline against clinical isolate of Escherichia coli. Antibiofilm, bacteriolytic, and efflux pump inhibitor activities were also performed. The chemical composition of CHEO was analysed using GC-MS. Three major compounds, D-limonene (25.02 %), β-pinene (23.37 %), and β-sabinene (22.20 %) were identified. CHEO exhibited moderate antibacterial activity with MIC value of 250 μg/mL. The combination of CHEO (7.8 μg/mL) and tetracycline (62.5 μg/mL) produced a synergistic effect on E. coli with fractional inhibitory concentration index of 0.5. This mixture inhibited biofilm formation in E. coli. The combination of 7.8 μg/mL CHEO and 62.5 μg/mL tetracycline demonstrated bacteriolytic activity. In addition, the CHEO at 250 μg/mL showed a significant effect in inhibiting efflux pump. D-limonene has a binding free energy value of -20.13 kcal/mol with ompA transmembrane domain of E. coli. This finding indicates that CHEO has a potency to be developed as natural antibacterial against E. coli.

Larvicidal properties of essential oils of three Artemisia species against the chemically insecticide-resistant Nile fever vector Culex pipiens (L.) (Diptera: Culicidae): In vitro and in silico studies

Abstract The objective of this study is to determine the larvicidal activity of essential oils (EOs) extracted from three plants of the genus Artemisia against the mosquito Culex pipiens (C. pipiens) using in vitro and in silico studies. A total number of 20 third- and fourth-instar larvae were exposed to various concentrations of the three plants. The LC50 and LC90 values of the tested Artemisia EOs were determined using Probit analysis. In addition, the sensitivity of C. pipiens to these EOs was determined and compared against a standard insecticide, temephos, under laboratory conditions. Furthermore, in silico assessments were carried out on the major constituents to help understand and explain the acquired in vivo results. Gas chromatography analysis identified the major compounds as d-limonene and β-pinene for Artemisia flahaultii, camphor and borneol for Artemisia. aragonensis, and artemisia ketone and caryophyllene for Artemisia annua. A. flahaultii oil showed the highest efficacy against C. pipiens larvae, followed by A. annua oil with average larvicidal activity. In contrast, A. aragonensis EO, composed of a high percentage of monoterpenes, was the least active. Docking simulation indicated that several studied ligands had promising binding scores within the receptor’s binding site compared to the reference insecticide temephos. The obtained results allow us to conclude that A. flahaultii, a species endemic to Morocco, is an excellent means of controlling C. pipiens.

Oldenlandia diffusa(Willd.) Roxb. Essential Oil from Assam, India: GC-MS Analysis and Anticancer Activity

In this study essential oil from Oldenlandia diffusa (aerial parts) was extracted using hydrodistillation method. Characterization of the essential oil was done by using GC-MS analysis and identified 71 compounds. Pentacosane (13.29%), hexacosane (11.59%), tetracosane (11.18%), heptacosane (9.76%),tricosane (6.90%), phytol (5.71%), hexatriacontane (4.87%) and isophytol (4.69%) were the major compounds constituting the oil. Further, cytotoxicity of the extracted oil was observed against PA1 (Ovarian), MIAPaCa-2 (Pancreatic), A549 (Lung), MCF7 (Breast), HeLa (Cervical), HepG2 (Liver), PC-3 (Prostatic), MDA-MB-231 (Breast) cell lines. The oil exhibited dose and time dependent inhibition effects against the cancer cell lines. Best inhibition activity was observed against PA1, HeLa and PC-3 cancer cell lines. The IC50 values ranged from 24.19±0.837 - 3.12±0.126 µg/mL in PA1 cells, 51.87±3.104 - 28.95±0.76 µg/mL in HeLa cells and 52.92±1.233 - 14.62±0.465 µg/mL in PC-3 cells at 24, 48 and 72h. From the experiments, it was clear that essential oil of Oldenlandia diffusa should be further explored as an anticancer agent for developing medicinal drug.

Analysis of volatile compound metabolic profiles during the fermentation of filler tobacco leaves through integrated E-nose, GC–MS, GC-IMS, and sensory evaluation

Tobacco is an agricultural commodity with great economic significance. Producers recognize that the flavor characteristics of filler tobacco clear-out (FTLs) affect the quality of cigar tobacco items. To identify the major volatile organic compounds (VOCs) responsible for differences in FTLs, E-nose, HS-SPME-GC–MS, and HS-GC-IMS were employed for multi-dimensional analysis of nine groups of FTLs at various fermentation stages. The E-nose results indicated a progressive increase in nitrogen-oxygen compounds during fermentation. Coupled with these findings, HS-SPME-GC–MS identified 56 VOCs, and HS-GC-IMS revealed 55 VOCs in the FTLs. Principal component analysis (PCA) suggested that FTLs from various fermentation stages of the Yunxue No 39 tobacco plant exhibit significant differences. Partial least squares discriminant analysis (PLS-DA), along with the variable importance in projection (VIP) method for feature selection, pinpointed 12 VOCs as the essential unmistakable metabolites embroiled within the agrarian fermenting prepare of matured FTLs. During the fermentation process, these crucial metabolites are predominantly enriched in pathways including pyruvate metabolism, phenylalanine metabolism, as well as nicotinate and nicotinamide metabolism. The study provides insights into the differences and diversity of FTLs at agricultural fermentation stages. It offers valuable information for optimizing the quality of agricultural fermentation and guiding the directional fermentation of tobacco leaves.

Unveiling Geographical Variation and Chemotypes of Cupressus torulosa Needle Essential Oil: A Novel Approach Using t‐SNE and HCA

ABSTRACTThis study aimed to assess the geographical variation in the content and chemical composition of Cupressus torulosa needles essential oil across different locations in the Himalayan region of India. The methodology involved the collection of needles from 14 distinct locations, followed by hydro‐distillation using a Clevenger‐type apparatus. Qualitative analysis was conducted using gas chromatography–mass spectrometry (GC–MS), while gas chromatography with flame ionisation detector (GC‐FID) was employed for quantitative analysis. The GC–MS analysis identified a total of 57 compounds, with oxygenated monoterpenes and monoterpene hydrocarbons being the dominant chemical constituents, ranging from 22.5% to 63.01% and from 10.39% to 63.95%, respectively. Terpinen‐4‐ol emerged as the major compound, with concentrations ranging from 101.2 ± 45.7 μg/mg to 393.8 ± 12.5 μg/mg across different locations, with the highest concentration observed in the Dehradun location. The application of t‐distributed stochastic neighbour embedding (t‐SNE) analysis and hierarchical cluster analysis (HCA) revealed the presence of five distinct chemotypes within the essential oil, characterised by different combinations of chemical constituents. These chemotypes were identified as terpinen‐4‐ol/limonene, terpinen‐4‐ol/sabinene, terpinen‐4‐ol, terpinen‐4‐ol/umbellulone, and terpinen‐4‐ol/totarol chemotypes. This research serves as a foundational framework for future investigations aimed at harnessing the unique properties of different chemotypes for specific purposes, potentially facilitating the successful commercialization and utilisation of C. torulosa needles essential oil.

Essential Oils from the Leaves and Stem Barks of Pluchea Indica (L.) Less.: Chemical Analysis, Cytotoxicity, Anti-inflammation, Antimicrobial Activity, Molecular Docking, and ADMET Profiling.

Pluchea indica (L.) Less. is a medicinal plant native to Asia. Traditionally, it is known for numerous traditional uses, such as treatments for fever, cough, and digestive issues. The present investigation aims to determine the chemical compositions of essential oils from its fresh leaves and stem barks. By using hydro-distillation and the GC-FID/MS (gas chromatography-flame ionization detection/mass spectrometry) analysis, the studied samples were dominated by sesquiterpene hydrocarbons (76.8-82.2 %) and their oxygenated derivatives (8.4-19.0 %). β-Selinene (42.0-43.5 %) and silphinene (21.1-22.9 %) were the main compounds. Significantly, the stem bark essential oil strongly monitored the growth of four cancer cell lines K562, HeLa, HepG2, and MCF-7 with IC50 values of 2.89-7.34 μg/mL. Both studied samples showed strong anti-inflammatory activity against NO (nitric oxide) production with IC50 values of 21.81-23.18 μg/mL. The studied sample also exhibited antimicrobial activity at different levels. The molecular docking study revealed that β-selinene exhibited the strongest binding affinity for all four cancer-related protein targets: epidermal growth factor receptor (EGFR), human epidermal growth factor receptor 2 (HER2), Abelson tyrosine-protein kinase 1 (ABL1), and phosphatidylinositol 3-kinase (PI3 K-α). The ADMET profiles of the major compounds were also predicted to provide insights for further research considerations.

Inhibition of Food Spoilage Fungi, Botrytis cinerea and Rhizopus sp., by Nanoparticles Loaded with Baccharis dracunculifolia Essential Oil and Nerolidol

This study investigates the antifungal potential of encapsulated essential oil (EO) from Baccharis dracunculifolia and nerolidol (NE) within Pluronic® F-127 nanoparticles (NPs). The EO, containing nerolidol, β-caryophyllene, and α-pinene as major bioactive compounds, exhibited superior antifungal activity compared to NE. The NP-EO formulations demonstrated high efficacy against Botrytis cinerea, with inhibition rates ranging from 29.73% to 87.60% and moderate efficacy against Rhizopus sp., with inhibition rates from 11.81% to 32.73%. In comparison, NP-NE showed lower antifungal activity. Both formulations effectively inhibited spore germination, with NP-EO showing greater inhibition compared to NP-NE. The encapsulation efficiency was significantly higher for NP-EO (80.1%) as compared to NP-NE (51.1%), attributed to the complex composition of EO facilitating better encapsulation and retention. Stability studies indicated that both NP formulations were stable at 25 °C for at least 15 days and exhibited changes in particle size and the formation of smaller particle populations at other temperatures (4 °C and 37 °C). Hemolytic activity was low across all NPs, suggesting their safety for food applications. The findings underscore the efficacy and applicability of EO-encapsulated NPs in extending food shelf life and maintaining product quality. The controlled and prolonged release of active compounds, coupled with their antifungal activity and safety, suggests that these NPs represent a promising and innovative approach for food preservation and active packaging development.

Vitex agnus castus Extract Ze 440: Diterpene and Triterpene’s Interactions with Dopamine D2 Receptor

Pre-clinical studies suggest that extracts prepared from the fruits of Vitex agnus castus (VAC) interact with dopamine D2 receptors, leading to reduced prolactin secretion. In previous experiments, dopaminergic activity was mostly evaluated using radioligand binding assays or via the inhibition of prolactin release from rat pituitary cells. Diterpenes featuring a clerodadienol scaffold were identified as major active compounds, but no conclusive data regarding their potency and intrinsic activity are available. Utilising advances in chromatography, we re-examined this topic using HPLC-based tracking of bioactivity via microfractionation of the VAC extract Ze 440. Using a cAMP-based assay, we measured dopaminergic activity in CHO-K1 cells that overexpress the human D2 receptor. Six diterpenes were isolated from two active HPLC microfractions. Viteagnusin I emerged as the most potent diterpene (EC50: 6.6 µM), followed by rotundifuran (EC50: 12.8 µM), whereas vitexilactone was inactive (EC50: >50 µM). Interestingly, triterpenes were also identified as active, with 3-epi-maslinic acid being the most active compound (EC50: 5.1 µM). To better understand these interactions at the molecular level, selected diterpenes and triterpenes were analysed through molecular docking against D2 receptor structures. Our data show that the dopaminergic activity of VAC diterpenes seems to depend on the configuration and on ring substitution in the side chain. This study also highlights for the first time the dopaminergic contribution of triterpenes such as 3-epi-maslinic acid.

Insights into Citrus limon (L.) Osbeck peel essential oil from NE India: A study of its pharmacological properties and chemical composition

Citrus limon (L.) Osbeck is considered as one of the most significant horticultural as well as essential oil crop. However, the significance of the fruit peels left after the utilization of the sour fruit find limited importance and these leftover peels are rich in essential oil. Lemon peel essential oil (LPEO) finds used in the fragrance, food, cosmetic, and pharmaceutical industries. In this study lemon peel were used for isolation of essential oil by hydro-distillation, analyzed by GC-FID and GC-MS and was further subjected to in vitro anti-oxidant (DPPH, ABTS), anti-inflammatory, anti-tyrosinase, genotoxicity and anti-diabetic assays. The essential oil analysis has revealed limonene as major compound (38.08%) along with other minor compounds namely, α-citral (12.02%), decanal (8.14%) and neral (7.36%). The total amount of citral (α-citral and neral) was found to be 19.38%, comparatively higher compared to previous reports. LPEO was found to exhibit very strong tyrosinase inhibition activity along with good alpha-amylase inhibition. The results from this study further strengthen the immense potential of LPEO as an anti-diabetic and skin whitening agent. The results framed from this study will further strengthen the position of earlier works on biological activities of C. limon besides providing a descriptive work on the potential of Assam LPEO.

The leaf essential oils of Meiogyne virgata (Blume) Miq., M. vietnamica Jaikhamseub, T.A.Le & Chaowasku, and Orophea polycarpa A.DC.: Chemical composition, antimicrobial activity, molecular docking, and toxicity profiling

The present study aims to describe the chemical composition of essential oils from three Vietnamese Annonaceae species, Meiogyne virgata, M. vietnamica, and Orophea polycarpa, and their antimicrobial activity. Essential oils were extracted by hydro-distillation. From the GC-FID/MS (gas chromatography-flame ionization detection and mass spectrometry) analysis, the leaf essential oil of M. virgata was reported to contain the major compound germacrene D (42.48%). Spathulenol (24.51%), bicyclogermacrene (18.58%), β-selinene (11.14%), and germacrene D (8.20%) can be seen as the main compound in M. vietnamica leaf essential oil. α-Phellandrene (39.35%), bicyclogermacrene (13.07%), β-phellandrene (10.87%), and limonene (8.27%) represented O. polycarpa leaf essential oil. Essential oil of M. virgata leaves exhibited strong antimicrobial activity against the Gram (+) bacterium Bacillus subtilis ATCC 5230, the Gram (-) bacterium Escherichia coli ATCC 8739, and the fungus Aspergillus niger ATCC 9587 with the same MIC value of 16 μg/mL. The docking method showed that germacrene D has the ΔGbinding (binding affinity) values of –6.68, –5.265, and –5.602 kcal/mol with the proteins E. coli DNA gyrase, B. subtilis TasA, and A. niger PhyA, respectively. Alkyl and pi-alkyl interactions are the main contributors to the binding affinity between the studied proteins and ligands. Furthermore, germacrene D is predicted to have low toxicity and is not active against any of the considered organ targets.

Allelopathic Molecular Mechanisms of the Two Main Allelochemicals in Sweet Potato

Sweet potato (Ipomoea batatas L.) is one of the most important global food crops. This crop exhibits excellent allelopathic potential against various weeds, but its allelopathic mechanism at the molecular level is unclear. Therefore, metabolomic and transcriptomic analyses were performed to explore the allelopathic effects, metabolic pathway, and associated genes for two major compounds with allelopathic activity, palmitic acid and linoleic acid. The sweet potato variety Ningshu 25 was employed in the current study. The results showed that palmitic acid and linoleic acid had strong allelopathic effects on seed germination, plant growth, antioxidant enzyme activity, and chlorophyll content of two weeds Digitaria sanguinalis and Bidens pilosa. The content of the two targeted metabolites was affected by different environmental conditions and was significantly increased under low temperature (15 °C). Five metabolic pathways involved in the two targeted metabolites of fatty acids were found: fatty acid biosynthesis, fatty acid elongation, fatty acid degradation, biosynthesis of cutin, suberine, and wax, and the linoleic acid metabolism pathway. The synthesis of palmitic acid is significantly enriched in the biosynthesis pathways of fatty acids, cutin, suberine, and wax, and the synthesis of linoleic acid is significantly enriched in the linoleic acid metabolism pathway. Under different environmental conditions, there were three key genes expressed—g4988, g11881, and g19673—located in the biosynthesis pathways of cutin, suberine, and wax; four key genes expressed—g31191, g60956, g49811, and g59542—located in the biosynthesis pathway of fatty acids; and six key expressed genes—g26575, g24787, g23517, g57649, g58562, and g4314—located in biosynthesis pathway of linoleic acid, respectively. Our study advances understanding of the molecular mechanisms behind allelopathic traits in sweet potato and provides a set of candidate genes for use in improving allelopathic potential in sweet potato germplasm resources.

Unrivalled Insight into Possible Biopharmaceutical Application of Justicia vahlii Roth. (Acanthaceae): Chemodiversity, In Vitro Bioactivities, and Computational Analysis.

Justicia vahliiRoth. is an important wild medicinal food plant traditionally used for treating inflammation and various common ailments. This study investigated the chemical composition, antioxidant, enzyme inhibition and toxicity profiles of n-hexane (nHEJv) and chloroform (CEJv) extracts of J. vahlii. Moreover, the effect of the extracts was evaluated on CCl4 induced liver injury. The total phenolic and flavonoid contents were present in both extracts in significant amount. The UPLC-Q-TOF-MS and GC-MS profiling of CEJv tentatively identified several important phytocompounds. The CEJv extract was comparatively more active for antioxidant activity and α-amylase inhibition, whereas the nHEJv extract presented higher inhibition potential against urease, tyrosinase, and α-glucosidase enzymes. Similarly, the in-silicostudy of four major compounds, i. e., 1-acetoxypinoresinol, 3-hydroxysebacic acid, nortrachelogenin, and viscidulin-III have shown a good docking score against the clinically significant enzymes. The acute oral toxicity and brine shrimp lethality assaysrevealed the extracts as non-toxic. The CCl4 treated animals showed a geared depletion of various antioxidant enzymes which were significantly reversed with the treatment of the extracts. Overall, the study's findings revealed J. vahliiwith antioxidant mediated hepatoprotective and enzyme inhibition potential and warrant further research on isolation of the bioactive compounds.

Bidens sulphurea and Tanacetum vulgare L. extracts against Staphylococcus spp. mecA positive in pregnant women

The present study aimed to evaluate the antibacterial activity of aqueous extracts of Bidens sulphurea and Tanacetum vulgare L. against Staphylococcus spp. methicillin-resistant (mecA) isolates from the vaginal microbiota of pregnant women. Fifteen isolates of Staphylococcus spp. with the presence of the mecA gene, from the vaginal swabs of pregnant women, aged between 16 and 38 years, who underwent microbiological examination during the first trimester of pregnancy. The aqueous extracts of B. sulphurea and Tanacetum vulgare L. were obtained by infusion, as recommended by popular use, and then, the chemical identification of the extracts was performed by gas chromatography. The antibacterial activity of plant extracts was performed by the method of microdilution in broth. B. sulphurea extract had as major compounds: custonolide (8.06%), Isohumulene (6.19%), artemetin (21,13%), β-sitosterol (28.68%), phytol (7.36%) e 7,8-epoxylanostan-11-ol, 3-acetoxy- (7.09%). T. vulgare extract presented as the majority artemetin (13.38%), verrucarol (13.27%) and phytol (11.93%), ergosterol (5.43%), ethyl iso-allocholate (6.95%), 7,8-epoxylanostan-11-ol, 3-acetoxy- (14,46%), lycopene, 1,1',2,2'-tetrahydro-1,1'-dimethoxy-, all-trans (7.09%) e 9,19-cyclochloestene-3,7-diol, 4,14-dimethyl-, 3-acetate (8.58%). The isolates tested against aqueous extracts of B. sulphurea and T. vulgare L., obtained minimum inhibitory concentrations (MIC) between 1.17mg/mL and 37.5mg/mL, minimum bactericidal concentrations (MBC) of B. sulphurea varied between 75mg/mL and 150mg/mL, on the other hand, T. vulgare L. MBC had lower values ranging from 9.37mg/mL to 150mg/mL. It was confirmed the bactericidal and bacteriostatic activity of the tested extracts against isolates that have the mecA resistance gene, and it is possible to attest that these extracts are a therapeutic alternative.

Rapid Method for Simultaneous Determination of γ-Oryzanol Compounds in Rice (Oryza sativa) Grains using UV-Vis Spectroscopy and Chemometrics

Rice (Oryza sativa) contains γ-oryzanol, which consists of 4 main compounds: Cycloartenol ferulate, 2,4-methylenecycloartanyl ferulate, campesterol ferulate, and β-sitosterol ferulate, that contribute to the health benefits of rice. This research aimed to develop a rapid method to determine the 4 major γ-oryzanol compounds in 45 varieties covering pigmented (black and red) and non-pigmented (white) rice grain. The method was developed by integrating UV-Vis spectroscopy with chemometrics, specifically principal component analysis (PCA) and partial least square (PLS) regression. Sampling was performed across the Indonesian archipelago collecting 180 samples, which comprises 60 samples for each type of rice in form of rice husk, bran, whole grain, and polished rice. The results of PCA on the spectroscopic data successfully identified distinction for the 3 types of rice attributable by different type and levels of chemical compound in the grain. White rice exhibited a characteristic absorption at 325 nm while in pigmented (red and black) rice showed a maximum absorbance at 280 nm, indicating the presence of different composition of chemical compounds. A reliable model to predict the 4 major γ-oryzanol compounds was established with R2 calibration, R2 cross-validation, and R2 prediction higher than 0.9 was obtained using the spectroscopic data in the range from 200 to 400 nm. However, the PLS modeling was unsuccessful for red and black rice samples most likely due to the interfering high absorption of red colored compounds. Compared to the existing techniques for analyzing individual compounds of the γ-oryzanol by high-performance liquid chromatography, the newly developed approach using UV-Vis spectroscopy combined with chemometrics is more practical, faster, and cost-efficient and mainly, solvent and residues free. HIGHLIGHTS A rapid method was developed to determine 4 major γ-oryzanol compounds in rice. This method integrates UV-Vis spectroscopy with PCA and PLS regression chemometrics. PCA successfully identified the distinction among white, red, and black rice types. Reliable PLS models were established for white rice with R2 values above 0.9. The developed approach is more practical, faster, and residue-free than HPLC. GRAPHICAL ABSTRACT

Physicochemical Attributes Related to Sensory Characteristics of Long-Term Aged Korean Traditional Soy Sauce (Ganjang).

This study investigated the physicochemical properties influencing the sensory characteristics of long-term aged ganjang. Eight ganjang samples aged 3, 10, and 15 years were obtained from three different manufacturers and analyzed for physicochemical characteristics, sensory profiles, and consumer acceptability. The proximate composition (moisture, ash, protein, and crude fat), total solids, salinity, acidity, pH, color (L, a, b, chrome, and hue), 27 free amino acids (FAAs), and volatile compounds were analyzed. Quantitative descriptive analysis was performed by 11 trained panelists for sensory profiles and 102 consumers evaluated consumer acceptability (overall, appearance, odor, taste/flavor, and mouthfeel). The results demonstrated a positive correlation between the aging period and increases in total solids, proteins, crude fat, acidity, color hue, FAA, major volatile compounds, and overall consumer acceptability. Specifically, correlation maps by partial least squares regression between descriptive attributes and FAAs or volatile compounds revealed that these components significantly affected consumer acceptability. Furthermore, sensory attributes such as color intensity, viscosity, sweetness, umami, and aftertaste were positively correlated with consumer preference, whereas attributes such as greenish-brown color, fish sauce-like flavor, and moldy notes were negatively correlated. Overall, these findings could be utilized to enhance the marketability and consumer appeal of long-term aged ganjang products by providing objective information supporting premium values.

Phytochemical Analysis and Antioxidant, Antimicrobial, and Antibiofilm Effects of a New Himalayan Lichen Placidium deosaiense Usman and Khalid Growing in Pakistan

Phytochemical composition and antimicrobial, antibiofilm, and antioxidant effects of a newly described Himalayan lichen Placidium deosaiense Usman and Khalid growing in Pakistan were investigated. HPLC–DAD methods were used for identification of secondary metabolites in acetone and methanol extracts. The total phenolics content was measured using a spectrophotometric method. The study investigated the antioxidant (DPPH-scavenging activity assay and reducing-power assay), antibacterial (minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC)), and antibiofilm (inhibition of biofilm formation and reduction in mature biofilm) activities of extracts of the lichen P. deosaiense and isolated parietin. The chemical constituents olivetol, olivetolic acid, haematommic acid, fallacinol, and parietin were identified as major compounds in the tested extracts of the lichen. Parietin was isolated from the acetone extract on a separation column. The methanol extract had higher values of TPC (21.67 mg GAE/g) than the acetone extract. Isolated parietin showed the best antioxidant activity measures, according to the DPPH-scavenging activity assay (IC50 = 51.616 μg/mL) and reducing-power assay. Although the extracts showed the best antibacterial activity (especially against Proteus mirabilis ATCC 12453), parietin demonstrated superior antibiofilm activity (especially against Staphylococcus aureus ATCC 25923). This is the first report on the phytochemical composition of the lichen Placidium deosaiense and the first description of the chemical composition of some of the 45 species of the genus Placidium. This research will pave the way for further exploration of new activities of this lichen and its metabolites, which are important for medicine and pharmacy.

Chemical Composition, Antibacterial and Antibiotic-Modifying Activity of Croton grewioides Baill Essential Oil

Background: Croton grewioides Baill., a species native to the Caatinga, popularly known as canela de cunhã, is used in traditional medicine to treat gastrointestinal diseases such as diarrhea, gastritis and stomach ulcers. The combination of essential oils with antibiotics reveals several beneficial effects associated with the increased efficacy of these drugs against pathogenic agents. Through this perspective, this study aimed to identify the chemical composition of the essential oil of C. grewioides (OECG) and evaluate its antibacterial and antibiotic-modifying activities against standard and multiresistant bacteria. Methods: To analyze the compounds present in the oil, the techniques of gas chromatography coupled with mass spectrometry (GC/MS) and gas chromatography with a flame ionization detector (GC/FID) were used. In the bacteriological tests, the Minimum Inhibitory Concentration (MIC) was obtained by the broth microdilution technique. The modulating effect of the essential oil was determined by calculating the subinhibitory concentration, followed by a serial microdilution of the antibiotics. The MIC reduction factor (CRF) was calculated, and its data were expressed as a percentage. Results: The analysis of the chemical composition identified the presence of the major compound estragole with a relative abundance of 50.34%. The MIC values obtained demonstrated efficacy in K. pneumoniae isolated from urine with MIC values of 512 µg/mL. OECG potentiated the effects of all antibiotics tested on the strains S. aureus ATCC 29213, K. pneumoniae Carbapnemase, E. coli ATCC 25922 and S. aureus ATCC 29213 with their CRF of 97.65%, 99.80%, 99.85% and 99.88%, respectively. Conclusions: Thus, the essential oil of C. grewioides presents synergistic effects when combined with the antibiotics tested, in addition to acting in the fight against bacterial resistance to antibiotics.

Exploring Teucrium aureo-candidum Essential Oil as a Promising Alternative to Triclosan for Targeting Enoyl-Acyl Carrier Protein Reductase: Chemical Composition, Antibacterial Activity, and Molecular Docking Study.

The chemical composition of the essential oil isolated from the aerial parts of Teucrium aureo-candidum, an endemic aromatic shrub collected from Moghrar and Djeniene Bourezg in the Nâama region (Algeria), was determined for the first time using GC/FID and GC/MS. A total of 45 constituents were identified, representing 87.73% of the oil. Characterized by unique chemical variability, it was primarily composed of sesquiterpene hydrocarbons (29.53%) and oxygenated sesquiterpenes (30.06%), with the major compounds being γ-cadinene (5.24%), δ-cadinene (4.24%), α-muurolene (4.04%), τ-muurolol (11.35%), and α-cadinol (3.30%). However, monoterpene hydrocarbons and oxygenated monoterpenes accounted for 23.98% and 1.64%, respectively, contributing to a relatively low fraction. The essential oil demonstrated notable antibacterial activity, particularly against Gram-positive bacteria. Due to safety concerns associated with triclosan, a known inhibitor of the Enoyl-Acyl Carrier Protein Reductase (FabI) enzyme, the essential oil components from this plant were explored as alternatives through a combination of experimental approaches and in silico molecular docking studies. The results revealed that α-cadinol, spathulenol, caryophyllene, and α-muurolene exhibited strong FabI inhibition, with better bioavailability and lower toxicity than triclosan, highlighting their potential in combating antibiotic-resistant bacteria.

LC-MS/MS Profiling, Biological Activities and Molecular Docking Studiesof Simmondsia Chinensis Leaves.

This study aimed to assess the biological activities of Tunisian Simmondsia chinensis and characterize their potential bioactive compounds. Different extracts of S. chinensis were tested for their antioxidant, antibacterial, anti α-amylase, and anti-acetylcholinesterase activities through in vitro assays. The methanolic extract exhibited the highest levels of antioxidant activity and total phenolic content (976.03 GAE/g extract) compared to the other extracts. Additionally, it demonstrated a substantial anti-acetylcholinesterase activity (PI= 75%) and potent antibacterial property, particularly against Enterococcus faecalis, Listeria monocytogenes, Bacillus cereus, Bacillus subtilis, and Salmonella enterica. The IC50 values of ethyl acetate and methanolic extracts against α-amylase were 42 μg/mL and 40 μg/mL, respectively, indicating potent anti-diabetic effects. HPLC-ESI-MS/MS analyses identified flavonoids and lignans as the major phenolic compounds in the methanolic extract. To better comprehend the mechanisms behind inhibitory effects on α-amylase and acetylcholinesterase enzymes, a molecular docking study was conducted. Consequently, these findings indicate that S. chinensis is a highly valuable natural resource with potential industrial applications.