Gas chromatography/mass spectrometry-based metabolite profiling of chia and quinoa seeds in comparison with wheat and oat.

INTRODUCTION: With an increasing interest in healthy and affordable cereal intake, efforts are made toward exploiting underutilized cereals with high nutritional values. OBJECTIVES: The current study aims to explore the metabolome diversity in 14 cultivars of chia and quinoa collected from Germany, Austria, and Egypt, compared with wheat and oat as major cereals. MATERIAL AND METHODS: The samples were analyzed using gas chromatography-mass spectrometry (GC-MS). Multivariate data analysis (MVA) was employed for sample classification and markers characterization. RESULTS: A total of 114 metabolites were quantified (sugars, alcohols, organic and amino acids/nitrogenous compounds, fatty acids/esters), but the inorganic and phenolic acids were only identified. Fatty acids were the major class followed by amino acids in quinoa and chia. Chia and oats were richer in sucrose. Quinoa encompassed higher amino acids. Quinoa and chia were rich in essential amino acids. Higher levels of unsaturated fatty acids especially omega 6 and omega 9 were detected in quinoa versus omega 3 in chia compared with oat and wheat, whereas ω6/ω3 fatty acid ratio of chia was the lowest. To the best of our knowledge, this is the first comprehensive metabolite profiling of these pseudo cereals. CONCLUSION: Quinoa and chia, especially red chia, are more nutritionally valuable compared with oat and wheat because of their compositional profile of free amino acids, organic acids, and essential fatty acids, besides their low ω6/ω3 fatty acid ratio. Such results pose them as inexpensive alternative to animal proteins and encourage their inclusion in infant formulas.

A multiplex metabolomic approach for quality control of Spirulina supplement and its allied microalgae (Amphora & Chlorella) assisted by chemometrics and molecular networking.

Microalgae species are of economic importance regarded as "green gold" being rich in bioactive compounds. Spirulina and Chlorella are the most popular microalgal species and are marketed as healthy food supplements. At the same time, Amphora holds potential as a source of healthy lipids and essential fatty acids. Yet, there are considerable variations in their reported chemical composition, and less is known about their compositional differences. A multiplexed metabolomic approach was adopted for the quality control (QC) of Spirulina supplements and to compare its constitutive metabolome to Chlorella and Amphora. The adopted protocol comprised gas chromatography-mass spectrometry (GC-MS), ultra-high performance liquid chromatography coupled with high-resolution tandem mass spectrometry (UPLC-HRMS/MS), and ultraviolet-visible spectrophotometry (UV/Vis) for mapping their primary and secondary metabolome. Interestingly, UPLC-HRMS/MS analysis delineated the abundance of fatty acids in Amphora versus glycolipids enrichment in Spirulina, and porphyrins were the main pigments identified in Spirulina, with scarce occurrence in Chlorella. Orthogonal projections to latent structures discriminant analysis (OPLS-DA) analysis of GC-MS data set revealed palmitic acid, 3-mannobiose, and glyceryl-glycoside as being most enriched in Spirulina, versus sucrose and leucine in Chlorella and Amphora, respectively. Despite being of low discriminatory potential, UV/Vis OPLS-DA modeling showed that Spirulina was distinguished with the UV absorbances of carotenoids and chlorophyll pigments, as indicated by its OPLS-DA derived S-plot. Our study provides a QC approach for the analysis of the microalgal species and poses alternative spectral and compositional markers for their discrimination.

Facile synthesis of a luminescent carbon material from yogurt for the efficient photocatalytic degradation of methylene blue.

The present study is focused on yogurt as a simple, inexpensive, abundant, and green source for the preparation of luminescent carbon material for enhancing the photodegradation of methylene blue (MB). It introduces an ecological and sustainable approach for the large-scale production of carbon material using the direct thermal annealing of yogurt in a muffle furnace. The size of the as-prepared carbon material is about 200-300 nm, with average particle size distribution of 355 nm. The material exhibits clear luminescence under illumination with ultraviolet light. The synthesized carbon material shows an outstanding degradation functionality of MB under the irradiation of ultraviolet (UV) light in aqueous media. Various dye degradation parameters such as initial dye concentration, catalyst dose, pH of dye solution, and scavenger effects have been investigated. The optimum MB concentration was found to be 2.3 × 10-5 M with a degradation efficiency of 94.8%. The degradation was highly enhanced at pH 11 with a degradation efficiency of 98.11%. The degradation of MB under highly alkaline conditions was mainly governed by the high amount of hydroxyl radicals. Furthermore, the scavenger study confirmed that the hydroxyl radicals were mainly involved in the degradation process. The degradation kinetics of MB followed first order kinetics with large values of rate constant. The reusability was also studied to ensure the stability of the as-prepared carbon material during the degradation of MB. The preparation of carbon materials with efficient photosensitivity for the degradation of organic dyes from yogurt shows a green and innovative methodology. Therefore, it can be of great interest for future studies related to energy and environmental applications.

Bioactives and functional food ingredients with promising potential for the management of cerebral and myocardial ischemia: a comprehensive mechanistic review.

Ischemia is a deadly disease featured by restricted perfusion to different organs in the body. An increase in the accumulation of reactive oxygen species and cell debris is the driving force for inducing many oxidative, inflammatory and apoptotic signaling pathways. However, the number of therapeutics existing for ischemic stroke patients is limited and there is insufficient data on their efficiency, which warrants the search for novel therapeutic candidates from natural sources. Herein, a comprehensive survey was done on the reported functional food bioactives (ca. 152 compounds) to manage or protect against health consequences of myocardial and cerebral ischemia. Furthermore, we reviewed the reported mechanistic studies for their anti-ischemic potential. Subsequently, network pharmacology- and in silico-based studies were conducted using the reported myocardial and cerebral ischemia-relevant molecular targets to study their complex interactions and highlight key targets in disease pathogenesis. Subsequently, the most prominent 20 compounds in the literature were used in a comprehensive in silico-based analysis (inverse docking, ΔG calculation and molecular dynamics simulation) to determine other potential targets for these compounds and their probable interactions with different signaling pathways relevant to this disease. Many functional food bioactives, belonging to different chemical classes, i.e., flavonoids, saponins, phenolics, alkaloids, iridoids and carotenoids, were proven to exhibit multifactorial effects in targeting the complex pathophysiology of ischemic conditions. These merits make them valuable therapeutic agents that can outperform the conventional drugs, and hence they can be utilized as add-ons to the conventional therapy for the management of different ischemic conditions; however, their rigorous clinical assessment is necessary.

In silico discovery of non-psychoactive scaffolds in Cannabis halting SARS-CoV-2 host entry and replication machinery.

Aim: Coronavirus disease still poses a global health threat which advocates continuous research efforts to develop effective therapeutics. Materials & methods: We screened out an array of 29 cannabis phytoligands for their viral spike-ACE2 complex and main protease (Mpro) inhibitory actions by in silico modeling to explore their possible dual viral entry and replication machinery inhibition. Physicochemical and pharmacokinetic parameters (ADMET) formulating drug-likeness were computed. Results: Among the studied phytoligands, cannabigerolic acid (2), cannabigerol (8), and its acid methyl ether (3) possessed the highest binding affinities to SARS-CoV-hACE2 complex essential for viral entry. Canniprene (24), cannabigerolic methyl ether (3) and cannabichromene (9) were the most promising Mpro inhibitors. Conclusion: These non-psychoactive cannabinoids could represent plausible therapeutics with added-prophylactic value as they halt both viral entry and replication machinery.

Metabolomics-based profiling of 4 avocado varieties using HPLC-MS/MS and GC/MS and evaluation of their antidiabetic activity.

Seven avocado "Persea americana" seeds belonging to 4 varieties, collected from different localities across the world, were profiled using HPLC-MS/MS and GC/MS to explore the metabolic makeup variabilities and antidiabetic potential. For the first time, 51 metabolites were tentatively-identified via HPLC-MS/MS, belonging to different classes including flavonoids, biflavonoids, naphthodianthrones, dihydrochalcones, phloroglucinols and phenolic acids while 68 un-saponified and 26 saponified compounds were identified by GC/MS analysis. The primary metabolic variabilities existing among the different varieties were revealed via GC/MS-based metabolomics assisted by unsupervised pattern recognition methods. Fatty acid accumulations were proved as competent, and varietal-discriminatory metabolites. The antidiabetic potential of the different samples was explored using in-vitro amylase and glucosidase inhibition assays, which pointed out to Gwen (KG) as the most potent antidiabetic sample. This could be attributed to its enriched content of poly-unsaturated fatty acids and polyphenolics. Molecular docking was then performed to predict the most promising phytoligands in KG variety to be posed as antidiabetic drug leads. The highest in-silico α-amylase inhibition was observed with chrysoeriol-4'-O-pentoside-7-O-rutinoside, apigenin-7-glucuronide and neoeriocitrin which might serve as potential drug leads for the discovery of new antidiabetic remedies.

Authentication of saffron spice accessions from its common substitutes via a multiplex approach of UV/VIS fingerprints and UPLC/MS using molecular networking and chemometrics.

Saffron is a spice revered for its unique flavor and health attributes often subjected to fraudulence. In this study, molecular networking as a visualization tool for UPLC/MS dataset of saffron and its common substitutes i.e. safflower and calendula (n = 21) was employed for determining genuineness of saffron and detecting its common substitutes i.e. safflower and calendula. Saffron was abundant in flavonol-O-glycosides and crocetin esters versus richness of flavanones/chalcones glycosides in safflower and cinnamates/terpenes in calendula. OPLS-DA identified differences in UPLC/MS profiles of different saffron accessions where oxo-hydroxy-undecenoic acid-O-hexoside was posed as saffron authentication marker and aided in discrimination between Spanish saffron of high quality from its inferior grade i.e. Iranian saffron along with crocetin di-O-gentiobiosyl ester and kaempferol-O-sophoroside. Kaempferol-O-neohesperidoside and N,N,N,-p-coumaroyl spermidine were characteristic safflower metabolites, whereas, calendulaglycoside C and di-O-caffeoyl quinic acid were unique to calendula. UV/VIS fingerprint spectral regions of picrocrocin (230-260 nm) and crocin derivatives (400-470 nm) were posed as being discriminatory of saffron authenticity and suggestive it can replace UPLC/MS in saffrom quality determination.

Marine and terrestrial endophytic fungi: a mine of bioactive xanthone compounds, recent progress, limitations, and novel applications.

Endophytic fungi are a kind of fungi that colonizes living plant tissues presenting a myriad of microbial adaptations that have been developed in such a hidden environment. Owing to its large diversity and particular habituation, they present a golden mine for research in the field of drug discovery. Endophytic fungal communities possess unique biocatalytic machinery that furnishes a myriad of complex natural product scaffolds. Xanthone compounds are examples of endophytic secondary metabolic products with pronounced biological activity to include: antioxidant, antimicrobial, anti-inflammatory, antithrombotic, antiulcer, choleretic, diuretic, and monoamine oxidase inhibiting activity.The current review compiles the recent progress made on the microbiological production of xanthones using fungal endophytes obtained from both marine and terrestrial origins, with comparisons being made among both natural resources. The biosynthesis of xanthones in endophytic fungi is outlined along with its decoding enzymes. Biotransformation reactions reported to be carried out using different endophytic microbial models are also outlined for xanthones structural modification purposes and the production of novel molecules.A promising application of novel computational tools is presented as a future direction for the goal of optimizing microbial xanthones production to include establishing metabolic pathway databases and the in silico analysis of microbial interactions. Metagenomics methods and related bioinformatics platforms are highlighted as unexplored tools for the biodiversity analysis of endophytic microbial communities that are difficult to be cultured.

In silico study of potential anti-SARS cell entry phytoligands from Phlomis aurea: a promising avenue for prophylaxis.

Aim: The severity of COVID-19 has raised a great public health concern evoking an urgency for developing multitargeted therapeutics. Phlomis species was ethno-pharmacologically practiced for respiratory ailments. Materials & methods: An array of 15 phytoligands previously isolated from Phlomis aurea were subjected to molecular docking to explore their potential SARS-CoV-Spike-angiotensin-converting enzyme 2 complex inhibition, that is essential for virus entry to host cell. Results: Acteoside (11) showed the most potent in silico inhibition with an additional merit, over hesperidin (16), of not binding to angiotensin-converting enzyme 2 with well proven in vivo pulmonary protective role in acute lung injury, followed by chrysoeriol-7-O-ß-glucopyranoside (12) and luteolin-7-O-ß-glucopyranoside (14). Conclusion: Phytoligands (11, 12 and 14) were posed as promising candidates with potential prophylactic action against COVID-19. These phytoligands were prioritized for further biological experimentation because of their acceptable predicted ADME and drug-likeness parameters. Moreover, they could aid in developing multitargeted strategy for better management of COVID-19 using phytomedicines.

Over a century since ephedrine discovery: an updated revisit to its pharmacological aspects, functionality and toxicity in comparison to its herbal extracts.

Ephedrine, a sympathomimetic amine that exhibits several adrenaline actions, is a plant alkaloid that is a common ingredient in several cold, asthma and narcolepsy treatment preparations, and in obesity management and sport medicine. Its principal action mechanism relies on its direct adrenergic actions as well as indirect role that involves the release of epinephrine and norepinephrine, thus increasing the activity of epinephrine and norepinephrine at the postsynaptic α and ß receptors. Nevertheless, its serious side effects, including stroke, heart attack, drug abuse and interactions, have never been comprehensively reviewed. We conducted a systematic review of data on ephedrine, including its occurrence in functional foods, pharmacological aspects, metabolism, pharmaco/toxicokinetics and clinical features. Furthermore, a review of ephedrine natural structural analogues with regards to their differential adrenergic receptor binding affinities, food interaction, and their impact on the pharmacokinetics and effects relative to ephedrine are presented for the first time, and in comparison to its action when present in herbs.

Profiling of Primary Metabolites and Volatile Determinants in Mahlab Cherry (Prunus mahaleb L.) Seeds in the Context of Its Different Varieties and Roasting as Analyzed Using Chemometric Tools.

Mahlab cherry (Prunus mahaleb L.) is a plant native to the Mediterranean basin and Eastern Europe, with several health benefits and culinary uses. We explored the compositional heterogeneity in the aroma profile and nutrients of three P. mahaleb seeds in the context of its cultivar type, i.e., white and red, and in response to roasting. A holistic untargeted metabolomics approach was employed for the first time using solid-phase microextraction (SPME-GC-MS) profiles of seed volatiles and primary metabolites coupled with chemometrics. Around 65 peaks belonging to sugars, fatty acids, esters and organic acids were identified by GC-MS. White mahlab from Egypt is rich in fatty acids, e.g., oleic and α-linolenic acids. Some acyl esters, e.g., glycerylmonostearate and n-butylcaprylate, characterized mahlab cultivars from various origins. A total of 135 volatiles were identified, with organic acids and aldehydes the most abundant. Aldehydes were the most discriminatory in seed origin and in accounting for its distinct aroma. Several roasting indices were identified, viz. 1-octanol, γ-caprolactone and isomintlactone. A direct relationship between furans and fatty acids was rationalized by cyclic transformation of the latter into furan derivatives. This study provides the first chemical evidence supporting the nutritional and flavor determinants of mahlab seeds, suggesting novel uses as a functional food.

Dual prophylactic/therapeutic potential of date seed, and nigella and olive oils-based nutraceutical formulation in rats with experimentally-induced Alzheimer's disease: A mechanistic insight.

Alzheimer's disease (AD) is a progressive neurodegenerative disorder with a multifactorial etiology and significantly increasing incidence during the last decade. Hence, developing an effective therapy is crucial for public health. The current study aimed to examine the dual prophylactic/therapeutic potential of a nutraceutical formula based on aqueous extract of roasted date seeds, and nigella and virgin-olive oils against experimentally-induced Alzheimer's disease in rats. Alzheimer's disease-like pathology was induced in male Wistar rats using oral CuSO4 (200 mg/Kg/day for two months). The nutraceutical formula was given orally to experimental animals (10 mL/kg/d) for 14 days before (as prophylaxis) and after Alzheimer's disease induction and its therapeutic effect in both cases is tested in comparison to donepezil (0.5 mg/kg/d). The nutraceutical formula was found to ameliorate the CuSO4-induced neuronal damage and regenerate the affected hippocampus tissue and significantly improvemed in learning ability. The formula was also effective in decreasing brain amyloid-ß, tau protein, TNF-α level, iNOS level in hippocampus, oxidative stress level, and inhibiting acetylcholinesterase activity and expression in brain and hippocampus, respectively. Further, an increase in GSH levels, activities of SOD, and GST and levels of hippocampus ADAM 17 and brain phospholipids was observed. In conclusion, the studied nutraceutical formula is proved to be effective in ameliorating Alzheimer's neurodegenerative progression with added-prophylactic potential.

Sweet and bitter oranges: An updated comparative review of their bioactives, nutrition, food quality, therapeutic merits and biowaste valorization practices.

Sweet and bitter oranges are two of the most commercially-important fruit with a total world production of 75.4 Mt, well-recognized for their unique sensory characters in addition to multiple nutritive and therapeutic attributes due to their highly-valued bioactive ingredients. Hence, their differential qualitative/quantitative phytochemical make-ups are presented for better utilization as therapeutic agents. Sweet orange exhibits therapeutic applications as being effective anti-diabetic, anti-obesity, and hypocholesterolemic agents. Whereas, for anti-osteoporotic products and intestinal dysbiosis treatment, bitter orange is more preferred. Moreover, the review recapitulates on different valorization practices of citrus bio-wastes and utilization of their bioactives as therapeutic agents and in functional food industry. Sweet orange waste functions as a fat replacer and preservative to increase food shelf life with better organoleptic attributes than bitter orange. The detailed action mechanism and safety of Citrus bioactives, as well as processing technologies to further improve its effects are posed as future research perspectives.

Chemometrics based GC-MS aroma profiling for revealing freshness, origin and roasting indices in saffron spice and its adulteration.

Saffron, stigmas of Crocus sativus, is one of the most precious spices used as food colorant and flavoring agent. Due to its scarce source and high cost, it is liable to fraudulent admixture with allied plants "safflower and calendula". In this study, gas chromatography-mass spectrometry (GC-MS) was employed to determine authenticity, adulterants detection, and to assess the roasting impact on its aroma. A total of 93 volatiles were identified belonging to different classes viz. aldehydes, alcohols, ketones, aliphatic hydrocarbons, aromatics, mono-and sesquiterpenes, oxides/ethers and pyrans/furans. Principle component analysis (PCA) identified safranal and 2-caren-10-al as discriminatory volatile markers of saffron from its allied flowers, later found enriched in estragole, ß-caryophyllene and eugenol. PCA model also revealed markers for freshly dried versus long-stored saffron, with ketoisophorone as freshness marker versus safranal as an ageing indicator. Safranal was further identified as a marker to distinguish saffron from safflower, whereas calendula aroma was predominated by monoterpene hydrocarbons.

Hepatitis C Virus NS3 Protease and Helicase Inhibitors from Red Sea Sponge (Amphimedon) Species in Green Synthesized Silver Nanoparticles Assisted by in Silico Modeling and Metabolic Profiling.

BACKGROUND: Hepatitis C virus (HCV) infection is a major cause of hepatic diseases all over the world. This necessitates the need to discover novel anti-HCV drugs to overcome emerging drug resistance and liver complications. PURPOSE: Total extract and petroleum ether fraction of the marine sponge (Amphimedon spp.) were used for silver nanoparticle (SNP) synthesis to explore their HCV NS3 helicase- and protease-inhibitory potential. METHODS: Characterization of the prepared SNPs was carried out with ultraviolet-visible spectroscopy, transmission electron microscopy, and Fourier-transform infrared spectroscopy. The metabolomic profile of different Amphimedon fractions was assessed using liquid chromatography coupled with high-resolution mass spectrometry. Fourteen known compounds were isolated and their HCV helicase and protease activities assessed using in silico modeling of their interaction with both HCV protease and helicase enzymes to reveal their anti-HCV mechanism of action. In vitro anti-HCV activity against HCV NS3 helicase and protease was then conducted to validate the computation results and compared to that of the SNPs. RESULTS: Transmission electron-microscopy analysis of NPs prepared from Amphimedon total extract and petroleum ether revealed particle sizes of 8.22-14.30 nm and 8.22-9.97 nm, and absorption bands at λmax of 450 and 415 nm, respectively. Metabolomic profiling revealed the richness of Amphimedon spp. with different phytochemical classes. Bioassay-guided isolation resulted in the isolation of 14 known compounds with anti-HCV activity, initially revealed by docking studies. In vitro anti-HCV NS3 helicase and protease assays of both isolated compounds and NPs further confirmed the computational results. CONCLUSION: Our findings indicate that Amphimedon, total extract, petroleum ether fraction, and derived NPs are promising biosources for providing anti-HCV drug candidates, with nakinadine B and 3,4-dihydro-6-hydroxymanzamine A the most potent anti-HCV agents, possessing good oral bioavailability and penetration power.

Current status and perspectives of xanthones production using cultured plant biocatalyst models aided by in-silico tools for its optimization.

With an increasing interest in exploring the biocatalyst potential for the production of natural products (NP), research in NP biotechnology now follows. Xanthones constitute an important class of phytochemicals exhibiting a myriad of bioactivities and potential for interacting with multimolecular targets, and xanthones are considered to be privileged phytochemical scaffolds in medicinal chemistry. Recent advances in xanthones biosynthetic pathways are outlined and their metabolic engineering. This review summarizes the state-of-the-art processes for the biotechnological production of xanthones, its limitations, and potential improvements. The in vitro tissue culturing methods employed for the production of xanthones from different species of plant are reviewed addressing differences in xanthone classes. This review sheds the light of computational approaches, viz., response surface methodology (RSM) and artificial neural networks (ANN), for optimizing the culture performance and improving xanthones production.

In silico identification of SARS-CoV-2 spike (S) protein-ACE2 complex inhibitors from eight Tecoma species and cultivars analyzed by LC-MS.

Coronavirus (CoV) is a positive RNA genome virus causing a global panic nowadays. Tecoma is a medicinally-valuable genus in the Bignoniaceae family, with some of its species exhibiting anti-HIV activity. This encouraged us to conduct an in silico exploration of some phytocompounds in Tecoma species cultivated in Egypt, namely Tecoma capensis and its four varieties i.e. yellow, harmony, pink and red, T. grandiflora Loisel., T. radicans L., and one hybrid i.e. Tecoma × smithii W. Watson. LC/MS-based metabolite profiling of the studied Tecoma plants resulted in the dereplication of 12 compounds (1-12) belonging to different phytochemical classes viz. alkaloids, iridoids, flavonoids and fatty acid esters. The in silico inhibitory action of these compounds against SARS-CoV-2 spike protein C-terminal domain in complex with human ACE2 was assessed via molecular docking. Succinic acid decyl-3-oxobut-2-yl ester (10), a fatty acid ester, possessed the best binding affinity (-6.77 kcal mol-1), as compared to hesperidin (13) (-7.10 kcal mol-1).

Nature as a treasure trove of potential anti-SARS-CoV drug leads: a structural/mechanistic rationale.

The novel Coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 is a potential factor for fatal illness and a tremendous concern for global public health. The COVID-19 pandemic has entered a dangerous new phase. In the context of drug discovery, the structurally-unique and chemically-diverse natural products have been valuable sources for drug leads. In this review, we report for potential candidates derived from natural sources with well-reported in vitro efficacy against SARS-CoV during the last decade. Additionally, a library of 496 phenolic metabolites was subjected to a computer-aided virtual screening against the active site of the recently reported SARS-CoV Main protease (Mpro). Analysis of physicochemical properties of these natural products has been carried out and presented for all the tested phenolic metabolites. Only three of the top candidates, viz. acetylglucopetunidin (31), isoxanthohumol (32) and ellagic acid (33), which are widely available in many edible fruits, obey both Lipinski's and Veber's rules of drug-likeness and thus possess high degrees of predicted bioavailability. These natural products are suggested as potential drug candidates for the development of anti-SARS-CoV-2 therapeutics in the near future.

Antiulcer activity of Cyperus alternifolius in relation to its UPLC-MS metabolite fingerprint: A mechanistic study.

BACKGROUND: Gastric ulcer is one of the main prevalent gastrointestinal multi-etiological disorders with many associated complications and adverse effects. Our aim was to develop safer antiulcer therapies based on methanol or ethyl acetate extracts of tubers and aerial parts from Cyperus alternifolius. METHODS: Gastric ulceration was experimentally generated by administration of single oral doses of indomethacin (30 mg/kg) to fasted rats. The animals received methanol or ethyl acetate extracts of C. alternifolius tuber and methanol or ethyl acetate extracts of aerial parts at two dose levels (50 or 100 mg/kg). Ranitidine (50 mg/kg) was used as standard anti-ulcer drug. After 4 h, the ulcer number and the total ulcer score were determined and TNF-α was assessed. Also, pathological and histochemical examination for gastric mucosa were performed. The metabolome heterogeneity of the different extracts was explored using (UPLC-MS) aided by supervised pattern recognition, i.e., orthogonal partial least squares discriminate analysis (OPLS-DA). A second OPLS-DA model was employed to link the UPLC-MS derived metabolome of the different extracts to their antiulcer activity to identify activity mediating metabolites. RESULTS: The extracts significantly reduced ulcer number, total ulcer score and TNF-α content in the stomach. Methanol or ethyl acetate extracts of tubers were most effective even more than ranitidine. In parallel, the histopathological examination showed an improvement of damaged mucosa. A high PAS reaction was observed in the treated groups indicating a relieve of the mucosal layer. A mechanistic clue of the C. alternifolius antiulcer potential was provided by the identification of its bioactive compounds using OPLS-DA. Both methanol extracts of tubers and aerial parts were more enriched in phenolic acids. The ethyl acetate extract of the aerial part was more abundant in two aldehydes. A mechanism of action was postulated based on their reported actions viz. α-carbonic anhydrase inhibition, anti-inflammatory and analgesic activity by its antioxidant activity and downregulation of several inflammatory mediators. CONCLUSION: This is the first study to report on the antiulcer activity of C. alternifolius tubers with identification of the key bioactive compounds and the mode of action. Future phytochemical and biological evaluation of the identified bioactive compounds are needed to confirm the plant tubers as safer alternative or adjunct therapy compared to conventional antiulcer drugs.

UPLC-MS metabolome based classification of Lupinus and Lens seeds: A prospect for phyto-equivalency of its different accessions.

Fabaceae is well-known for its seed nutritious and bioactive composition as exemplified by Lupinus and Lens. Developing efficient analytical approaches for profiling their bioactive matrix is a prerequisite to provide proof for their health benefits or nutritive traits. Eight Lupinus and Lens seed accessions were subjected to liquid chromatography-mass spectrometry (UPLC-MS)-based metabolomic study, which identified 66 metabolites, viz. flavonoids, alkaloids, saponins, phenolics, fatty acids and sphingolipids. Chemometric tools were explored to assess heterogeneity across the two genera leading to elucidation of the species-most enriched and differential metabolites. The two dark-colored lentil cultivars are identified as the richest source of functional foods with presumed therapeutic benefits; however, Lupinus hispanicus was proved to be the most nutritive accession. To our knowledge, this study provides the first UPLC-MS-based comparative metabolite profiling of Lupinus and Lens seeds. This platform was also able to discern metabolites diversity at the intraspecific level among Lupinus species and Lens cultivars.