Limoniastrum monopetalum-Mediated Nanoparticles and Biomedicines: In Silico Study and Molecular Prediction of Biomolecules.

An in silico approach applying computer-simulated models helps enhance biomedicines by sightseeing the pharmacology of potential therapeutics. Currently, an in silico study combined with in vitro assays investigated the antimicrobial ability of Limoniastrum monopetalum and silver nanoparticles (AgNPs) fabricated by its aid. AgNPs mediated by L. monopetalum were characterized using FTIR, TEM, SEM, and DLS. L. monopetalum metabolites were detected by QTOF-LCMS and assessed using an in silico study for pharmacological properties. The antibacterial ability of an L. monopetalum extract and AgNPs was investigated. PASS Online predictions and the swissADME web server were used for antibacterial activity and potential molecular target metabolites, respectively. Spherical AgNPs with a 68.79 nm average size diameter were obtained. Twelve biomolecules (ferulic acid, trihydroxy-octadecenoic acid, catechin, pinoresinol, gallic acid, myricetin, 6-hydroxyluteolin, 6,7-dihydroxy-5-methoxy 7-O-ß-d-glucopyranoside, methyl gallate, isorhamnetin, chlorogenic acid, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-ß-l-mannopyranosyl)-ß-d-glucopyranoside) were identified. The L. monopetalum extract and AgNPs displayed antibacterial effects. The computational study suggested that L. Monopetalum metabolites could hold promising antibacterial activity with minimal toxicity and an acceptable pharmaceutical profile. The in silico approach indicated that metabolites 8 and 12 have the highest antibacterial activity, and swissADME web server results suggested the CA II enzyme as a potential molecular target for both metabolites. Novel therapeutic agents could be discovered using in silico molecular target prediction combined with in vitro studies. Among L. Monopetalum metabolites, metabolite 12 could serve as a starting point for potential antibacterial treatment for several human bacterial infections.

Corrigendum to "Evaluation of Antimicrobial Potential and Comparison of HPLC Composition, Secondary Metabolites Count, and Antioxidant Activity of Mentha rotundifolia and Mentha pulegium Extracts".

[This corrects the article DOI: 10.1155/2021/9081536.].

HPLC-Analysis, Biological Activities and Characterization of Action Mode of Saudi Marrubium vulgare against Foodborne Diseases Bacteria.

The present study aims to evaluate the chemical composition, metabolites secondary and pharmacology activities of methanolic extract of Marrubium vulgare collected from King Saudi Arabia. Moreover, the primary mode of action of the tested extract was studied here for the first time against E. coli and L. monocytogenes. HPLC analysis shows that the major components in the tested extract are luteolin-7-O-d-glucoside, ferulic acid and premarrubiin. Obtained data demonstrated that the investigated extract was richer in phenol (26.8 ± 0.01 mg/GAE g) than in flavonoids (0.61 ± 0.05 mg EC/mL). In addition, the methanolic extract showed an important antioxidant capacity against the DPPH (IC50 = 35 ± 0.01 µg/mL) and ABTS (IC50 = 25 ± 0.2 µg/mL) radical scavenging and a strong inhibition of acetylcholinesterase enzyme with an IC50 value corresponding to 0.4 mg/mL. The antibacterial activity demonstrated that the evaluated extract had significant activity against both Gram-positive and Gram-negative bacteria. The effect of time on cell integrity on E. coli and L. monocytogenes determined by time-kill and bacteriolysis tests showed that the M. vulgare extract reduced the viability of both strains after 8 and 10 h and had a bacteriolytic effect against two different categories of bacteria, Gram-positive and negative, which are not of the same potency. Based on obtained data, it can be concluded that Saudi M. vulgare has a high pharmacological importance and can be used in preparation of food or drugs.

Evaluation of Antimicrobial Potential and Comparison of HPLC Composition, Secondary Metabolites Count, and Antioxidant Activity of Mentha rotundifolia and Mentha pulegium Extracts.

In the present study, the relationship between the phenolic counts, chemical composition, and biological activities of two Mentha species (Mentha rotundifolia (MR) and Mentha pulegium (MP)) was analyzed. The characterization of the action mode against pathogenic bacteria and the inhibition of spore germination of two fungal species using prepared methanolic extracts were studied here for the first time. The obtained data highlighted the presence of positive correlation between the secondary metabolites contents and the biological activities of the investigated extracts. In fact, HPLC analysis showed that the major components in both the extracts were eriocitrin and rosmarinic acid (25 and 20 mg/ml and 12 and 8 mg/ml in methanolic extracts of MR and MP, respectively). Moreover, the MR extract was rich in polyphenols and presents the highest antioxidant activity than MP ones. In addition, both extracts possess an antimicrobial activity against four Gram-positive and five Gram-negative bacteria and one yeast species (Candida albicans) and were able to inhibit the spore germination of two fungi species (Aspergillus niger and Aspergillus flavus). But, the significant activity was observed in the presence of MR methanolic extract. The effect of time on cell integrity of E. coli and L. monocytogenes determined by time-kill and bacteriolysis assays showed that the MR extract had a rapid bacteriolytic effect compared to the MP extract, and their capacities were significant against Gram-negative bacteria than positive ones. Based on the obtained data, it can be concluded that Saudi Mentha species have high pharmacological and industrial importance and they can be used in preparation of food or drugs.