The aim of this study was to investigate the potential of Ipomoea carnea flower methanolic extract (ICME) as a natural gastroprotective therapy against ethanol-induced gastric ulcers, particularly in individuals exposed to ionizing radiation (IR). The study focused on the Nrf2/HO−1 signaling pathway, which plays a crucial role in protecting the gastrointestinal mucosa from oxidative stress and inflammation. Male Wistar rats were divided into nine groups, the control group received distilled water orally for one week, while other groups were treated with ethanol to induce stomach ulcers, IR exposure, omeprazole, and different doses of ICME in combination with ethanol and/or IR. The study conducted comprehensive analyses, including LC-HRESI-MS/MS, to characterize the phenolic contents of ICME. Additionally, the Nrf2/HO−1 pathway, oxidative stress parameters, gastric pH, and histopathological changes were examined. The results showed that rats treated with IR and/or ethanol exhibited histopathological alterations, increased lipid peroxidation, decreased antioxidant enzyme activity, and reduced expression levels of Nrf2 and HO−1. However, pretreatment with ICME significantly improved these parameters. Phytochemical analysis identified 39 compounds in ICME, with flavonoids, hydroxybenzoic acids, and fatty acids as the predominant compounds. Virtual screening and molecular dynamics simulations suggested that ICME may protect against gastric ulceration by inhibiting oxidative stress and inflammatory mediators. In conclusion, this study demonstrates the potential of ICME as a natural gastroprotective therapy for preventing gastric ulcers. These findings contribute to the development of novel interventions for gastrointestinal disorders using natural plant extracts particularly in individuals with a history of radiation exposure.

Herniaria hemistemon J.Gay is widely used in folk medicine to treat hernia. The present study aimed to annotate the phytoconstituents of H. hemistemon aerial-part extract and investigate its in vivo anticryptosporidial activity. The chemical characterization was achieved via the LC–ESI–MS/MS technique resulting in the annotation of 37 phytocompounds comprising flavonoids and phenolic acids. Regarding the anticryptosporidial activity, fifty dexamethasone-immunosuppressed mice were separated into five groups: GI, un-infected (normal control); GII, infected but not treated (model); GIII, infected and received NTZ, the reference drug; GIV, infected and received H. hemistemon extract (100 mg/kg); and GV, infected and received H. hemistemon extract (200 mg/kg). When GIII, GIV, and GV were compared to GII, parasitological analyses displayed highly significant differences in the mean numbers of Cryptosporidium parvum oocysts in the stool between the different groups. GV demonstrated the highest efficacy of 79%. Histopathological analyses displayed improvement in the small intestine and liver pathology in the treated groups (GIII, IV, and V) related to the model (GII), with GV showing the highest efficacy. Moreover, the docking-based study tentatively highlighted the potential of benzoic acid derivatives as lactate dehydrogenase inhibitors. The docked compounds showed the same binding interactions as oxamic acid, where they established H-bond interactions with ARG-109, ASN-140, ASP-168, ARG-171, and HIS-195. To sum up, H. hemistemon is a promising natural therapeutic agent for cryptosporidiosis.

Holoptelea integrifolia (Roxb.) Planch. is a medicinal plant rich in phytochemicals that can be used to treat a number of ailments in humans and animals. In the current study, LC-ESI-QTOF-MS/MS technique was utilized for tentative identification of phenolic compounds in the ethyl-acetate extract of Holoptelea integrifolia (Roxb.) Planch. leaves. The 27 identified compounds were categorized as (15-flavonoids, 3-coumarins and 9-phenolic acids & aldehydes) beside 4 unidentified compounds. In silico study of anti-viral activity against Herpes simplex virus type-1(HSV-1) was performed to determine the possible binding modes of 27 compounds, which revealed docking scores ranging from (−3.551 to −9.385 kcal mol−1) comparable to that of Acyclovir and PNU-183792 with binding scores -6.476, -7.002 respectively kcal mol−1. Acacetin-7-O-rutinoside (Linarin) (1), Chlorogenic acid (2), Kaempferol-3-O-arabinoside (8), Kaempferol-3-O-Glucuronide (23), Quercetin 3-O-galactoside (Hyperoside) (18), and Diosmin (29) displayed the highest binding scores with proper fitting via hydrogen bonds with some of the important key residues Gln616, Gln 617, Gln 618, Tyr696, Phe718, Ser720, Tyr722, Leu721 Gly819, Asn 815, and Asp888, all of which are crucial to the appropriate functioning of the DNA polymerase as one of the important therapeutic targets.

Toxoplasmosis induced by Toxoplasma gondii is a well-known health threat, that prompts fatal encephalitis increased with immunocompromised patients, in addition, it can cause chorioretinitis, microcephaly, stillbirth in the fetus and even led to death. Standard therapy uses sulfadiazine and pyrimethamine drugs revealed beneficial results during the acute stage, however, it has severe side effects. UPLC-ESI-MS/MS used to explore C. limon MeOH ext. constituents, which revealed a list of 41 metabolites of different classes encompasses; unsaturated fatty acid, tricarboxylic acids, phenolic aldehyde, phenolic acids, phenolic glycosides, coumarins, sesquiterpene lactone, limonoid, steroid and flavonoids. C. limon MeOH ext. and the isolates reduced significantly the number of T. gondii tachyzoites. Consequently, histopathological examination, proved significant reduction in the number of mononuclear inflammatory cells in the kidney and liver sections, besides, lowering the number of shrunken and degenerative neurons in the brain sections of infected mice. Molecular docking study was performed targeted certain receptors, which are important for the life cycle fundamentals for the parasite mobility including invasion and egress, and further molecular dynamics simulation was conducted to get insights into the structural changes of the formed complexes, along with a pharmacophoric mapping approach, that confirmed the need for a free hydroxyl group and/or a phenolic substituted one, in order to form HB, Hyd/Aro and ML interactions, through which, cell cycle disruption via iron chelation, could be achieved. In addition, the ADMIT properties of all identified metabolites were predicted.

Alcoholic leaves extracts of six species belong to genus Jatrtopha (J. integerrima Jacq, J. integerrima Rosea, J. multifida Linn, J. curcas Linn, J. gossypifolia Linn and J. pandurifolia Andrews) were screened for their total phenolic and flavonoid contents along with evaluation of their in-vitro antioxidant and anti-inflammatory properties. The total phenolic and flavonoid contents were calculated as mg of gallic acid and quercetin equivalents (GAE & QE) / g dry extract by a colorimetric method utilizing Folin-Ciocalteu reagent and AlCl3, respectively. The highest phenolic content was found in J. gossypifolia L. extract (11.21), followed by J. curcas L. (9.14), J. integerrima Jacq (5.01), J. multifida L. (4.26), J. pandurifolia Andr. (3.40) and J. integerrima Rosea (2.16). Moreover, J. gossypifolia L. recorded the highest flavonoid content (7.05), followed by J. curcas L. (6.33), J. integerrima Jacq (3.01), J. pandurifolia Andr. (1.25), J. multifida L (0.98) and J. integerrima Rosea (0.25). Concerning the biological evaluation, DPPH radical scavenging assay and membrane stabilization method were used to determine the antioxidant and anti-inflammatory activities of plant extracts, respectively. The J. gossypifolia L. has shown the best antioxidant activity (94.4%) followed by J. curcas L. (92.5%), J. integerrima Jacq (88.3%), J. multifida L. (73.5%), J. pandurifolia Andr. (66.9%) and J. integerrima Rosea (56.1%).