MS Profiling Research Articles

Antibacterial activity and GC–MS profiling of Stephania glandulifera Miers root extract

Antibacterial activity and GC–MS profiling of Stephania glandulifera Miers root extract

Development of hydro-distillation extraction and macroporous resin enrichment method for GC–MS chemical profiling of volatile components in the dried root of Gentiana dahurica Fisch

The dried root of Gentiana dahurica Fisch. has an intensive flavour, which suggests the presence of volatile compounds. Thus, this study aimed to develop an effective extraction method for GC–MS profiling of volatile compounds of G. dahurica. Hydro-distillation and subsequent resin enrichment (HDRE) was developed and applied to the analysis of G. dahurica in comparison with simultaneous distillation and extraction (SDE), and ultrasonic assisted dichloromethane extraction (uDCM). The major components were azulene (33.83%), 1-hexanoic acid (14.19%) and octanoic acid (11.39%) in the HDRE; octanoic acid (17.24%), nonanoic acid (13.29%) and 2,4-di-t-butylphenol (12.73%) in the SDE; and α-amyrin (25.05%), β-amyrin acetate (15.11%) and β-amyrone (4.61%) in the uDCM. Moreover, the HDRE extract was shown to have certain antimicrobial activity against four bacterial strains. Thus, the HDRE method is a promising sample preparation method for GC-MS chemical profiling of volatile components of the dried roots of medicinal plants.

MALDI-TOF MS profiling to predict resistance or biofilm production in gram-positive ESKAPE pathogens from healthcare-associated infections

Antimicrobial resistance and biofilm production in healthcare-associated infections is a health issue worldwide. This study aimed to identify potential biomarker peaks for resistance or biofilm production in ESKAPE pathogens using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS). Antimicrobial susceptibility and biofilm production were assessed on selected isolates. Biomarker peaks were identified using MALDI Biotyper and ClinProTools software. Among resistant strains, 90.0 % were carbapenem-resistant Acinetobacter baumannii (CRAB), 39.0 % were methicillin-resistant Staphylococcus aureus (MRSA), 17.98 % were multidrug-resistant (MDR) Pseudomonas aeruginosa, 21.6 % were vancomycinresistant Enterococcus (VRE), and 2.55 % were carbapenem-resistant Enterobacterales (CRE). Biofilm production was 40.0 % in VRE and 45.8 % in MRSA. Although no potential biomarker peaks for biofilm production were detected, several potential biomarker peaks for drug resistance in VRE (n=5), MRSA (n=4), and MDR P. aeruginosa (n=4) were detected, suggesting avenues for the development of rapid diagnostic tools.

MALDI-TOF MS Profiling and Its Contribution to Mosquito-Borne Diseases: A Systematic Review.

Mosquito-borne diseases are responsible for hundreds of thousands of deaths per year. The identification and control of the vectors that transmit pathogens to humans are crucial for disease prevention and management. Currently, morphological classification and molecular analyses via DNA barcoding are the standard methods used for vector identification. However, these approaches have several limitations. In the last decade, matrix-assisted laser desorption/ionization-time-of-flight mass spectrometry (MALDI-TOF MS) profiling has emerged as an innovative technology in biological sciences and is now considered as a relevant tool for the identification of pathogens and arthropods. Beyond species identification, this tool is also valuable for determining various life traits of arthropod vectors. The purpose of the present systematic review was to highlight the contribution of MALDI-TOF MS to the surveillance and control of mosquito-borne diseases. Published articles from January 2003 to August 2024 were retrieved, focusing on different aspects of mosquito life traits that could be determinants in disease transmission and vector management. The screening of the scientific literature resulted in the selection of 54 published articles that assessed MALDI-TOF MS profiling to study various mosquito biological factors, such species identification, life expectancy, gender, trophic preferences, microbiota, and insecticide resistance. Although a large majority of the selected articles focused on species identification, the present review shows that MALDI-TOF MS profiling is promising for rapidly identifying various mosquito life traits, with high-throughput capacity, reliability, and low cost. The strengths and weaknesses of this proteomic tool for vector control and surveillance are discussed.

Phytochemical screening of genus Cotoneaster through GC–MS profiling: an insight into medicinally relevant compounds

Phytochemical screening of genus Cotoneaster through GC–MS profiling: an insight into medicinally relevant compounds

Lowered GnT-I Activity Decreases Complex-Type N-Glycan Amounts and Results in an Aberrant Primary Motor Neuron Structure in the Spinal Cord.

The attachment of sugar to proteins and lipids is a basic modification needed for organismal survival, and perturbations in glycosylation cause severe developmental and neurological difficulties. Here, we investigated the neurological consequences of N-glycan populations in the spinal cord of Wt AB and mgat1b mutant zebrafish. Mutant fish have reduced N-acetylglucosaminyltransferase-I (GnT-I) activity as mgat1a remains intact. GnT-I converts oligomannose N-glycans to hybrid N-glycans, which is needed for complex N-glycan production. MALDI-TOF MS profiles identified N-glycans in the spinal cord for the first time and revealed reduced amounts of complex N-glycans in mutant fish, supporting a lesion in mgat1b. Further lectin blotting showed that oligomannose N-glycans were more prevalent in the spinal cord, skeletal muscle, heart, swim bladder, skin, and testis in mutant fish relative to WT AB, supporting lowered GnT- I activity in a global manner. Developmental delays were noted in hatching and in the swim bladder. Microscopic images of caudal primary (CaP) motor neurons of the spinal cord transiently expressing EGFP in mutant fish were abnormal with significant reductions in collateral branches. Further motor coordination skills were impaired in mutant fish. We conclude that identifying the neurological consequences of aberrant N-glycan processing will enhance our understanding of the role of complex N-glycans in development and nervous system health.

Dried blood spot-based free sterol signatures in sitosterolemia diagnostics

BackgroundSitosterolemia is a rare inherited lipid metabolic disorder characterized by increased levels of plant sterols and accelerated atherosclerosis. Although early detection is beneficial for the prevention of disease progression, it is largely underdiagnosed by routine screening based on conventional lipid profiles. Materials and methodsA gas chromatography-mass spectrometry (GC–MS)-based profiling has been developed and validated to measure the levels of biologically active free sterols, including five endogenous sterols and three plant sterols (sitosterol, campesterol, and stigmasterol) in dried blood spot (DBS). ResultsWithin- and between-run precisions were 1.4–11.1 % and 2.2–14.1 %, respectively, while the accuracies were all 86.3 ∼ 121.9 % with the correlation coefficients (r2) > 0.988 for all the sterols. In the patients (four girls and two boys, 6.5 ± 2.8 years), sitosterol levels were significantly increased, with an optimal cut-off value of 2.5 µg/mL distinguishing them from ninety-three age-matched healthy children. A cut-off value of 31.9 µg/mL differentiated the patients from six ABCG5/ABCG8 heterozygous carriers. In addition, the molecular ratios of sitosterol to cholesterol, desmosterol, and 7-dehydrocholesterol provided excellent cut-off values of 26.3, 67.6, and 21.6, respectively, to distinguish patients from both healthy controls and heterozygous carriers. ConclusionsThe novel DBS-based GC–MS profiling of free sterols accurately identified patients with sitosterolemia, with a performance comparable to that of a serum assay. The DBS profiling could be more feasible method in clinical practice as well as population screening programs, and it can provide diagnostic cut-off values for individual plant sterols.

Root Rot Management in Common Bean (Phaseolus vulgaris L.) Through Integrated Biocontrol Strategies using Metabolites from Trichoderma harzianum, Serratia marcescens, and Vermicompost Tea

Common bean (Phaseolus vulgaris L.) is an essential food staple and source of income for small-holder farmers across Africa. However, yields are greatly threatened by fungal diseases like root rot induced by Rhizoctonia solani. This study aimed to evaluate an integrated approach utilizing vermicompost tea (VCT) and antagonistic microbes for effective and sustainable management of R. solani root rot in common beans. Fourteen fungal strains were first isolated from infected common bean plants collected across three Egyptian governorates, with R. solani being the most virulent isolate with 50% dominance. Subsequently, the antagonistic potential of vermicompost tea (VCT), Serratia sp., and Trichoderma sp. was assessed against this destructive pathogen. Combinations of 10% VCT and the biocontrol agent isolates displayed potent inhibition of R. solani growth in vitro, prompting in planta testing. Under greenhouse conditions, integrated applications of 5 or 10% VCT with Serratia marcescens, Trichoderma harzianum, or effective microorganisms (EM1) afforded up to 95% protection against pre- and post-emergence damping-off induced by R. solani in common bean cv. Giza 6. Similarly, under field conditions, combining VCT with EM1 (VCT + EM1) or Trichoderma harzianum (VCT + Trichoderma harzianum) substantially suppressed disease severity by 65.6% and 64.34%, respectively, relative to untreated plants. These treatments also elicited defense enzyme activity and distinctly improved growth parameters including 136.68% and 132.49% increases in pod weight per plant over control plants. GC–MS profiling of Trichoderma harzianum, Serratia marcescens, and vermicompost tea (VCT) extracts revealed unique compounds dominated by cyclic pregnane, fatty acid methyl esters, linoleic acid derivatives, and free fatty acids like oleic, palmitic, and stearic acids with confirmed biocontrol and plant growth-promoting activities. The results verify VCT-mediated delivery of synergistic microbial consortia as a sustainable platform for integrated management of debilitating soil-borne diseases, enhancing productivity and incomes for smallholder bean farmers through regeneration of soil health. Further large-scale validation can pave the adoption of this climate-resilient approach for securing food and nutrition security.

Exploring the antioxidant and antidiabetic potentials of Syzygium cumini L. landraces: phytochemicals, bioactive constituents and pathway enrichment analysis

SummaryThis study proposes an efficient antidiabetic strategy by identifying potential mechanisms of antioxidant metabolism and α‐amylase inhibition in Syzygium cumini L. fruits. Six indigenous landraces of S. cumini were evaluated for major phytochemicals and bioactive constituents using gas chromatography–mass spectrometry (GC–MS) profiling and correlated with antioxidant and antidiabetic properties. Black jamin landrace‐6 (BJLR‐6), characterised by small fruits, exhibited greater 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH) scavenging activity and in vitro α‐amylase inhibition, especially in the kernel. The kernel of BJLR‐6 had the lowest IC50 for DPPH radicals (4.2 μg mL−1) and α‐amylase inhibition (5.3 μg mL−1). Therapeutic compounds like terpenoids in the pulp and alkaloids in the seed contribute to their curative potential. GC–MS profiling of BJLR‐6 revealed major bioactive constituents like propanamide, allantoic acid and 2‐furancarboxaldehyde in the pulp and alkaloids such as piperazine, 3‐pyridinol, imidazole and furan carboxaldehyde in the kernel tissues. Pathway enrichment analysis of bioactive constituents emphasises antioxidant and insulin‐regulating pathways, steroid hormone metabolism and signal transduction pathways associated with therapeutic/antidiabetic activity in fruit pulp and kernel tissues. This study unveils the phytochemical composition and novel bioactive constituents in the fruit parts of small‐fruited S. cumini BJLR‐6, emphasising their potential as a better source of functional herbal formulations.

Expansion of MALDI-TOF MS database as a strategy for identification of Haemophilus species other than H. influenzae

ABSTRACT Objectives This study aimed to evaluate an expanded matrix-assisted laser desorption-ionization-time of flight mass spectrometry (MALDI-TOF MS) database for the identification of Haemophilus species other than H. influenzae (Hi). Methods A total of 144 Haemophilus species, cultured from respiratory samples from people (living) with cystic fibrosis, were identified with MALDI-TOF MS and 16S rRNA sequencing. Of these, 99 Haemophilus strains showed >99% similarity with the best matching strain in the National Center for Biotechnology Information (NCBI) database and were assigned to a single Haemophilus subspecies using both MALDI-TOF MS and 16S rRNA sequencing. The MS profiles of a subset of strains (n = 58/99) were added to the Bruker MALDI-TOF MS database. Subsequently, 270 different strains that were analyzed previously in a routine setting were re-analyzed. Results 16S rRNA sequencing reliably identified 99/144 Haemophilus strains (>99% similarity). H. haemolyticus 16S rRNA identification was suboptimal since only 3/21 H. haemolyticus strains attained a similarity of >99% with H. haemolyticus 16S rRNA sequence in the NCBI database. Expansion of the MALDI-TOF MS database improved the number of reliable identifications only moderately for H. haemolyticus, H. influenzae and H. paraphrohaemolyticus (<10%). By contrast, improved identification was more outspoken for H. parahaemolyticus, H. parainfluenzae, H. sputorum and H. pittmaniae (>85%). Conclusion 16S rRNA sequencing is a valuable method for the identification of Haemophilus sp. other than Hi. Expansion of the MALDI-TOF MS database, based on 16S rRNA sequencing results, increased the proportion of reliable identifications and in this study resulted in an increase of 10% of Haemophilus sp. other than Hi strain identifications.

Neisseria leonii sp. nov., isolated from the nose, lung, and liver of rabbits.

A taxogenomic study of three strains (3986T, 51.81, and JF 2415) isolated from rabbits between 1972 and 2000 led to the description of a new Neisseria species. The highest sequence similarity of the 16S rRNA gene was found to Neisseria animalis NCTC 10212T (96.7 %). The 16S rRNA gene similarity above 99 % and average nucleotide identity (ANI) values above 96 % among the strains, indicated that they belong to the same species. At the same time, the strains shared ANI values below 81 % and dDDH values below 24 % with all described Neisseria species. In the bac120 gene phylogenetic tree, the three strains clustered near Neisseria elongata and Neisseria bacilliformis in the Neisseria clade. However, the Neisseria clade is not monophyletic, and includes the type strains of Morococcus cerebrosus, Bergeriella denitrificans, Kingella potus, Uruburuella suis, and Uruburuella testudinis. Neisseria shayeganii clustered outside the clade with members of the genus Eikenella. Amino acid identity (AAI) values were calculated, and a threshold of 71 % was used to circumscribe the genus Neisseria. According to this proposed AAI threshold, strains 3986T, 51.81, and JF 2415 were placed within the genus Neisseria. The cells of the three strains were Gram-stain-negative diplococcobacilli and non-motile. Optimal growth on trypticase soy agar occurred at 37 °C and pH 8.5 in aerobic conditions. Notably, all strains exhibited indole production in the API-NH test, which is atypical for Neisseria and the family Neisseriaceae. The strains exhibited a common set of 68 peaks in their MALDI-TOF MS profiles, facilitating the swift and accurate identification of this species. Based on genotypic and phenotypic data, it is proposed that strains 3986T, 51.81, and JF 2415 represent a novel species within the genus Neisseria, for which the name Neisseria leonii sp. nov. is proposed (type strain 3986T=R726T=CIP 109994T=LMG 32907T).

In-depth metabolite characterization of seaweed-based plant biostimulants: Insights into bioactive components

Biostimulants derived from Kappaphycus alvarezii are renowned for sustainable agricultural enhancement, yet the exploration of numerous other tropical algae remains uncharted. This study aimed to unravel the metabolite diversity, bioactivities, and potential plant biostimulant properties of extracts derived from Kappaphycus alvarezii (KAE), Gracilaria debilis (GDE), and Sargassum cinctum (SCE). Two-year field trials showcased a significant boost in maize grain yields, indicating the biostimulant potential of each extract.Application of 7.5 % seaweed extract concentration substantially increased grain yields by 32 %, 29 %, and 31 % over the control for KAE, GDE, and SCE in the first-year trial and by 31 %, 28 %, and 32 % in the second year. Even a lower concentration of 2.5 % resulted in an increase in grain yield over the control. High-resolution chromatographic techniques coupled with tandem mass spectrometry (MS/MS) revealed 198, 202, and 191 compounds in KAE, GDE, and SCE, respectively. GC–MS profiling further unveiled 23, 21, and 12 metabolites, respectively. The extracts from red and brown seaweeds harbored distinct metabolites with low similarities to each other. These extracts contained a spectrum of compounds, including glycerol, glycine, valine, ellagic acid, cromakalim, genistein, 1,4-β-d-glucan, polyamines, n1-acetylspermine, mannose, propionic acid, benzoic acid, glycine, coumaric acid, hydroxycinnamic acids, and resveratrol. These compounds, known for their potent bio-stimulatory properties in various crops when applied exogenously in pure forms. This study transcends the conventional understanding of seaweed extract efficacy by shedding light on lesser-known metabolites which might have potential biostimulant roles. In contrast to the well-established components traditionally associated with seaweed extracts, this exploration highlights the need to test the biological activities of several other overlooked compounds spanning diverse classes.

MALDI-TOF MS profiling and antifungal activity of lactic acid bacteria from kunu aya, a tiger nut traditional beverage of Nigeria

The application of matrix-assisted laser desorption time-of-flight mass spectrometry (MALDI-TOF MS) as a technique for high-throughput characterization of microbiota in African traditional foods is limited. Kunu aya is an unexplored reservoir of protective lactic acid bacteria (LAB) strains. A total of 26 LAB isolates from kunu aya were identified using MALDI-TOF MS as five species, including Lactiplantibacillus plantarum (14), Pediococcus pentosaceus (9), Levilactobacillus brevis (1), Lactiplantibacillus pentosus (1), and Weissella paramesenteroides (1). Antifungal activity screening of all LAB strains by agar-plate overlay assay revealed inhibition against Penicillium crustosum FOO5BA and/or Aspergillus flavus FOO8BA by six strains: L. plantarum (3), Pd. pentosaceus (1), L. brevis (1), and W. paramesenteroides (1). The six LAB strains demonstrated broad spectrum antifungal activity, when tested against eight molds from plant-based foods, inhibiting 4 to 7 molds, with average inhibition scores (AIS) of 0.75–2.75. L. brevis MKAIA1b showed the strongest antifungal activity (AIS; 2.75). Agar diffusion method revealed that antifungal activity against all target molds was retained in cell-free supernatants of L. brevis MKAIA1b, with the highest inhibition demonstrated against P. citrinum 3AS1 (15.34%). In challenged kunu aya fermented with L. brevis MKAIA1b or L. brevis MKAIA1b and L. plantarum TMP051, the growth of A. flavus F008BA, Fusarium langesthiae 13,014, and P. crustosum FOO5BA was delayed beyond 7 days at ambient temperature (25 °C). In this study, MALDI-TOF MS was an effective tool to reveal the species composition of LAB in kunu aya, which harbors LAB strains that displayed strong antifungal activity, while showing great potentials as a protective culture and for bio-control.

Agastache Species (Lamiaceae) as a Valuable Source of Volatile Compounds: GC–MS Profiling and Investigation of In Vitro Antibacterial and Cytotoxic Activities

Nowadays, there is an increasing interest in the study of medicinal and aromatic plants, due to their therapeutic properties that correlate with the presence of different active compounds. Agastache species (sp.) are aromatic plants that belong to the Lamiaceae family, originating from North America and East Asia. The present study aimed to evaluate the composition of essential oils (EOs) obtained from different Romanian cultivated Agastache sp. and to investigate their antibacterial and cytotoxic activities. The gas chromatography-mass spectrometry (GC–MS) screening revealed that menthone was the dominant constituent of A. foeniculum (31.58%), A. rugosa (39.60%) and A. rugosa ‘After Eight’ (39.76%) EOs, while estragole was the major constituent of A. foeniculum “Aromat de Buzău” (63.27%) and A. mexicana (41.66%) EOs. The investigation of the antiproliferative effect showed that A. rugosa and A. foeniculum “Aromat de Buzău” EOs had significant cytotoxic activity on MDA-MB-231 and HEPG2 tumour cell lines, with the most promising effect on the MDA-MB-231 breast cancer cell line for A. foeniculum “Aromat de Buzău” EO (IC50 = 203.70 ± 0.24 μg/mL). Regarding the antibacterial activity, A. rugosa EO was most active against E. coli (8.91 ± 3.27 μL/mL) and S. aureus (10.80 ± 0.00 μL/mL). To the best of our knowledge, this is the first report on the cytotoxic effect of Agastache sp. EOs on MDA-MB-231, HCT116 and HEPG2 tumour cell lines. The results of our study provide new and promising information for the subsequent in vivo study of the pharmacological properties of Agastache sp. essential oils.

Phytochemical potential and GC–MS analysis of propolis from Punjab region of India

Propolis is a beehive product produced from honeybees by mixing β-glycosidase enzyme and beeswax with exudate collected from plant resins. The main goal of this study was to investigate the phytochemical potential and GC–MS profiling of the main constituents of propolis. The antioxidant activity was assessed by using 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging assay, total phenolic content and total flavonoid content were analysed by Folin-Ciocalteu reagent method and aluminium chloride method respectively. Methanolic extract exhibited highest antioxidant activities, ethanolic extract had the highest total phenolic content, and maximum amount of flavonoid was observed in the chloroform extract. GC–MS analysis revealed the presence of flavonoids, fatty acids and phenolic compounds. Results revealed that propolis from Derra Bassi can be used as natural antioxidant, also extracting solvents had a significant impact on the phytochemical activities and with its standardisation can be used for prevention of diseases related with free radicals.

The GCMS, antioxidant, and anti-inflammatory activity of the Ayurveda oil, Arukaladi tailam

Ayurvedic tailams have a long history of use and efficacy. They have been used for centuries, with many individuals reporting positive results in managing and improving their health. Ayurvedic tailams typically have fewer side effects compared to synthetic medications, making them a preferred choice for individuals seeking natural remedies and can be applied both externally (for massage) and, in some cases, internally (for specific therapies). This versatility allows for a wide range of applications and health benefits.The current study focuses on the GC MS analysis of Arukaladi tailam, an oil composition used in Ayurveda to treat jaundice when administered topically. Before being subjected to the GC MS analysis, the product was appropriately prepared after being purchased from a reputable Ayurvedic dealer in Chennai, India. The IC50 value of the DPPH assay was found to be 744.7391μl/ml and FRAP reveals that the tailam had good reducing power. Further the anti-inflammatory of the tailam exhibited 14.2% of haemolysis at 1000μl/ml and inhibited protein denaturation by 63.74% with an IC50 value of 789.4013 µl/ml. The presence of biomolecules as shown in the GC MS profile are 2-Fluoro-6-trifluoromethylbenzoic acid, 2- tetradecyl ester, Tridecanol, 2-ethyl-2-methyl-, etc. These chemicals could help the medication work better to treat jaundice.

Discriminatory power of MALDI-TOF MS protein profiling analysis of pork meat and meat products

Forty different sample preparation methods were tested to obtain the most informative MALDI-TOF MS protein profiles of pork meat. Extraction by 25% formic acid with the assistance of zirconia-silica beads followed by defatting by methanol:chloroform mixture (1:1, v/v) and deposition by using the layer-by-layer method was determined as the optimum sample preparation protocol. The discriminatory power of the method was then examined on samples of pork meat and meat products. The method was able to discriminate between selected salami based on the production method and brand and was able to monitor the ripening process in salami. However, it was not able to differentiate between different brands of pork ham or closely located parts of pork meat. In the latter case, a more comprehensive analysis using LC-MS/MS was used to assess the differences in protein abundance and their relation to the outputs of MALDI – TOF MS profiling.

Anti-hemostatic, antithrombotic, and chemical profiles of a curly-leaf variety of Petroselinum crispum (Apiaceae), a food and medicinal aromatic herb

Thrombosis is currently among the major causes of morbidity and mortality in the World. New prevention and therapy alternatives have been increasingly sought in medicinal plants. In this context, we have been investigating parsley, Petroselinum crispum (Mill.) Nym, an aromatic herb with two leaf varieties. We report here the in vitro, in vivo, and ex vivo anti-hemostatic and antithrombotic activities of a parsley curly-leaf variety. Aqueous extracts of aerial parts (PCC-AP), stems (PCC-S), and leaves (PCC-L) showed significant in vitro antiplatelet activity. PCC-AP extract exhibited the highest activity (IC50 2.92 mg/mL) when using ADP and collagen as agonists. All extracts also presented in vitro anticoagulant activity (APTT and PT) and anti-thrombogenic activity. PCC-S was the most active, with more significant interference in the factors of the intrinsic coagulation pathway. The oral administration of PCC-AP extract in rats caused a greater inhibitory activity in the deep vein thrombi (50%; 65 mg/kg) than in arterial thrombi formation (50%; 200 mg/kg), without cumulative effect after consecutive five-day administration. PCC-AP extract was safe in the induced bleeding time test. Its anti-aggregating profile was similar in ex vivo and in vitro conditions but was more effective in the extrinsic pathway when compared to in vitro results. Apiin and coumaric acid derivatives are the main compounds in PCC-AP according to the HPLC-DAD-ESI-MS/MS profile. We demonstrated for the first time that extracts from different parts of curly parsley have significant antiplatelet, anticoagulant, and antithrombotic activity without inducing hemorrhage, proving its potential as a source of antithrombotic compounds.

Pharmacological evaluation and phytochemical profiling of butanol extract of L. edodes with in- silico virtual screening

L. edodes (L. edodes) is the most consumed mushroom in the world and has been well known for its therapeutic potential as an edible and medicinal candidate, it contains dietary fibers, vitamins, proteins, minerals, and carbohydrates. In the current study butanolic extract of mushroom was used to form semisolid butanol extract. The current study aimed to explore biometabolites that might have biological activities in n-butanol extract of L. edodes using FT-IR and GC–MS and LC–MS. The synergistic properties of bioactive compounds were futher assessed by performing different biological assays such as antioxidant, anti-inflammatory and antidiabetic. FTIR spectra showed different functional groups including amide N–H group, Alkane (C-H stretching), and (C = C stretching) groups at different spectrum peaks in the range of 500 cm−1 to 5000 cm−1 respectively. GC–MS profiling of n-butanol extract depicted 34 potent biomolecules among those dimethyl; Morphine, 2TMS derivative; Benzoic acid, methyl ester 1-(2-methoxy-1-methylethoxy)-2-propanol were spotted at highest range. Results indicate that L. edodes n-butanol extract showed a maximum anti-inflammatory potential 91.4% at 300 mg/mL. Antioxidant activity was observed by measuring free radical scavenging activity which is 64.6% at optimized concentration along with good antidiabetic activity. In-silico study executed the biopotential of active ingredient morphine which proved the best docking score (− 7.0 kJ/mol) against aldose reductase. The in-silico drug design analysis was performed on biometabolites detected through GC–MS that might be a potential target for sulfatase-2 to treat ruminated arthritis. Morphine binds more strongly (− 7.9 kJ/mol) than other bioactive constituents indicated. QSAR and ADMET analysis shown that morphine is a good candidates against ruminated arthritis. The current study showed that L. edodes might be used as potent drug molecules to cure multiple ailments. As mushrooms have high bioactivity, they can be used against different diseases and to develop antibacterial drugs based on the current situation in the world in which drug resistance is going to increase due to misuse of antibiotics so new and noval biological active compounds are needed to overcome the situation.

HS-SPME-GC–MS Profiling of Volatile Organic Compounds and Polar and Lipid Metabolites of the “Stendesto” Plum–Apricot Kernel with Reference to Its Parents

Plum–apricot hybrids are the successful backcrosses of plums and apricots. Plums and apricots are well-known and preferred by consumers because of their distinct sensory and beneficial health properties. However, kernel consumption remains limited even though kernels are easily accessible. The “Stendesto” hybrid originates from the “Modesto” apricot and the “Stanley” plum. Kernal metabolites exhibited quantitative differences in terms of metabolites identified by gas chromatography–mass spectrometry (GC–MS) analysis and HS-SPME technique profiling. The results revealed a total of 55 different compounds. Phenolic acids, hydrocarbons, organic acids, fatty acids, sugar acids and alcohols, mono- and disaccharides, as well as amino acids were identified in the studied kernels. The hybrid kernel generally inherited all the metabolites present in the parental kernels. Volatile organic compounds were also investigated. Thirty-five compounds identified as aldehydes, alcohols, ketones, furans, acids, esters, and alkanes were present in the studied samples. Considering volatile organic compounds (VOCs), the hybrid kernel had more resemblance to the plum one, bearing that alkanes were only identified in the apricot kernel. The objective of this study was to investigate the volatile composition and metabolic profile of the first Bulgarian plum–apricot hybrid kernels, and to provide comparable data relevant to both parents. With the aid of principal component analysis (PCA) and hierarchical cluster analysis (HCA), differentiation and clustering of the results occurred in terms of the metabolites present in the plum–apricot hybrid kernels with reference to their parental lines. This study is the first providing information about the metabolic profile of variety-defined kernels. It is also a pioneering study on the comprehensive evaluation of fruit hybrids.