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In this work, three fungal endophytes identified as Aspergillus terreus (AFL, AFSt and AFR), were studied for their antioxidant potential. LC-MS-based metabolomics, followed by multivariate statistical analysis were then applied to comprehensively profile their extracts. The three fungal endophytes revealed interesting antioxidant potential, in particular, the strain isolated from the Artemisia annua leaves (AFL), which was rich in different types of phenolic metabolites. Additionally, all fungal-derived ethyl acetate extracts showed potent inhibition against the prooxidant xanthine oxidase. Multivariate analysis (PCA and PLS-DA) demonstrated a unique chemical fingerprint for each strain, where phenolics, coumarins, and polyketides were the discriminative metabolites of the three fungal strains. The present findings highlighted the power of metabolomics in the chemotaxonomical classification of closely related strains. It also asserted the role of fungal endophytes in the management of oxidative stress, particularly when they are utilized in the production of fermented food products. [ABSTRACT FROM AUTHOR]

Both ethyl acetate and aqueous fractions of Tabebuia aurea leaves exhibited noteworthy antioxidant and nephroprotective activities against carbon tetrachloride (CCl4)-induced nephrotoxicity in rats, as evidenced by the remarkable improvements of renal serum biomarkers and histopathological features. Additionally, the ethyl acetate fraction displayed a prominent in vitro antitrypanosomal activity against Trypanosoma brucei; consequently, the leaves were subjected to LC-HR-ESI-MS metabolomic profiling to discover the constituents that possibly underlie their bioactivities. Therefore, ten metabolites were characterized, mostly dominated by flavonoids. Interestingly, two identified constituents viz., 3,9,12,15-octadecatetraenoic acid (9) and 9,11,13-octadecatrienoic acid (10) are reported firstly herein from the genus Tabebuia. Furthermore, among the dereplicated constituents, rutin (5) and kaempferol 3-O-rutinoside (6) exhibited the highest docking scores as effective antitrypanosomal compounds. [ABSTRACT FROM AUTHOR]

The hypoglycemic and antioxidants activities of the methanol extract of Lepidium sativum seeds was tested in alloxan-induced diabetic male rats. Thirty male albino rats weighing 190–200 g were divided into five groups as follows: negative control, positive control and three diabetic groups treated with three concentrations of L. sativum methanol extract for four weeks. Induction of hyperglycemia in the positive control group increased blood glucose, glycated hemoglobin A1c, immunoglobulins, liver enzyme, lipid peroxide and kidney function, total cholesterol, low-density lipoproteins, very low-density lipoproteins and decreased antioxidants and high-density lipoproteins compared with the negative control. Furthermore, pancreas tissues showed pathological changes compared with the negative control. Treating the diabetic rats with L. sativum methanol extract decreased blood sugar and restored all biochemical and histological changes to the normal. It could be concluded that L. sativum methanol extract succeeded in controlling diabetes, increasing antioxidants and ameliorating lipid profile. [ABSTRACT FROM AUTHOR]

Chemical profiles of total alcohol extract and various derived fractions of aerial parts of Zinnia elegans were studied. Accordingly, eight flavonoids were isolated from the ethyl acetate derived fraction based on the antioxidant assay-guided purification, using DPPH and phosphomolybdate complex assays. Eventually, the binding affinities and features of the eight isolated flavonoids were investigated using the molecular docking technique towards SARS-CoV-2 and human targets –namely main protease (Mpro), papain-like protease (PLpro), RNA-dependent RNA polymerase (RdRp), receptor-binding domain (RBD), helicase (NSP13), human angiotensin‐converting enzyme 2 (ACE2), and human neuropilin-1 (NRP1). Docking calculations unveiled the surpass binding affinity of glabrisoflavone with Mpro, PLpro, RdRp, RBD, NSP13, ACE2, and NRP1, with docking scores of −9.2, −7.4, −6.9, −6.9, −8.5, −9.0, and −7.6 kcal/mol, respectively. Binding mode analysis manifested the capability of glabrisoflavone to form several hydrogen bonds with the key amino acid residues inside the active sites of the targets. Besides, 25 ns molecular dynamics (MD) simulations combined with molecular mechanics-generalized Born surface area (MM-GBSA) binding energy calculations were executed to inspect the binding affinity of glabrisoflavone and compared to an anti-HIV-1 protease inhibitor (darunavir). MM-GBSA calculations demonstrated greater glabrisoflavone affinity for the PLpro, RdRp, RBD and NRP1 over darunavir. Nevertheless, MM-GBSA calculations displayed equal or lower glabrisoflavone affinity against Mpro, NSP13 and ACE2 compared to darunavir. The current study obviously emphasizes the fitness of the glabrisoflavone as an auspicious clinical drug candidate for further development and future in vivo and in vitro evaluations towards viral targets and human targets. [Display omitted] • Eight flavonoids were isolated from Erythrina suberosa is a medicinal plant known aerial parts of Zinnia elegans. • Various fractions of plant are screened for antioxidant activity. • The isolated flavonoids were subjected to molecular docking studies towards SARS-CoV-2. [ABSTRACT FROM AUTHOR]