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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-β-d-glucopyranoside, methyl gallate, isorhamnetin, chlorogenic acid, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-β-l-mannopyranosyl)-β-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. [ABSTRACT FROM AUTHOR]

This investigation displayed the good catalytic activity of silver nanoparticles (AgNPs) on the reduction of methylene blue dye. During this work, Honey was chosen for environmentally reducing and stabilizing agents for preparation of silver nanoparticles then characterized these nanoparticles by ultraviolet–visible spectroscopy (UV–Vis), functional biomolecules were confirmed by Fourier transform infrared spectroscopy (FTIR). Via transmission electron microscopy (TEM), the size and shape of silver nanoparticles revealed that the particles are spherical and monodispersed without major agglomeration, the particle size ranging from 5 to 25 nm, in addition, the largest particle density levels are 5–10 nm, ZETA Seizers studied the size distribution of the colloidal solution. UV/Vis spectrophotometer and HPLC were used to study and analyze the degradation performance of silver nanoparticles on methylene blue. The results show that 92% of methylene blue has been degraded after 72 h. additionally, several new peaks have appeared after treatment of the samples by using HPLC. [ABSTRACT FROM AUTHOR]

A polyphasic approach consisting of physical, chemical and molecular characterization was applied to three Alternaria species, A. alternata, A. chlamydospora and A. solani, to characterize and identify isolates producing and non-producing silver nanoparticles (AgNPs). Based on physical characters, the synthesized AgNPs were characterized by transmission electron microscopy and formation of spherical AgNPs sized 5 nm to 60 nm. Scanning electron microscopy (SEM) of the AgNPs did not show a uniform surface; the shape was irregular, like a coral reef. Energy Dispersive Spectroscopy (EDS) showed the presence of Ag element. Fourier transform-infrared spectroscopy (FTIR) confirmed the conversion of Ag ions to AgNPs by fungal metabolites. A. alternata PNU75 non-producing AgNPs showed negative results when characterized by physical devices. Chemical characterization involved the screening of three Alternaria species for fatty acids (FAs) with similar FAs composition while different in terms of relative concentration. The principal FAs were palmitic, stearic, oleic acid and linoleic acid, which comprised 90% or more of the total FAs composition of these species. Molecularly, the fungal protein pattern of the three Alternaria species showed changes against the control by finding 6 proteins associated with AgNPs-producing species. Inter simple sequence repeats (ISSR) analysis using ten primers indicated a high level of genetic variability of three Alternaria species producing and non-producing AgNPs. The results also indicated that the AgNPs synthesized by A. alternata at the concentration 100 mg/L gave the highest inhibition zone against Aspegillus flavus and Aaltenaria alternata, where the percentages of reduction were 77.1% and 87.6% respectively. [ABSTRACT FROM AUTHOR]