Structural, electronic, intermolecular interaction, reactivity, vibrational spectroscopy, charge transfer, Hirshfeld surface analysis, pharmacological and hydropathy plot on 5-Bromo nicotinic acid – Antiviral study (Hepatitis A, B, and C)

The therapeutic properties of 5-Bromonicotinatic acid (5BNA) were studied for antiviral illnesses like Hepatitis A, Hepatitis B and Hepatitis C and the influence of electron-donating and electron-withdrawing properties of functional groups on the nicotinic acid was evaluated and represented in this study using the DFT approach. The molecular parameters were determined for both gases as well as for various solvent phases. The reactive areas in the compound are examined utilising Fukui analysis. The molecular interactions are accomplished by recognising the different types of bonding found in the compound using the AIM, ELF, LOL, RDG and IRI. Solvation investigations were demonstrated to have an influence on molecular orbital energy, ESP, UV–Vis and NLO analyses. Electron-hole, NBO and Hirshfeld investigations are used to investigate the transfer of charges and interactions inside the molecule. The method of vibrational spectroscopy (IR and Raman) is used to differentiate and identify the various types of vibrations displayed by the compound. The hydropathy plots for the proteins 2A4O, 6CWD and 2OC8 associated with Hepatitis A, Hepatitis B and Hepatitis C illustrate the disquiet and attraction of the amino acids towards the water

Development of self-repair nano-rod scaffold materials for implantation of osteosarcoma affected bone tissue

Osteosarcoma is the most widely recognized fatal bone disease in children and young adults. The osteosarcoma affected places of bone implant materials lose their activity after a period of time due to the possibility of regenerating sarcoma cells. Hence, the complete recovery of this disease is very challenging. Subsequently, new helpful methodologies, including natural antioxidant loaded bone implant materials, are effectively used to treat osteosarcoma cells. In this regard, nano-hydroxyapatite reinforced with a xylitol based poly(xylitol sebacate) PXS co-polymer together with a capsaicin loaded scaffold was investigated on osteosarcoma cells. The physicochemical properties of the scaffold were evaluated by FT-IR (Fourier transform infrared spectroscopy), SEM (scanning electron microscopy), TEM (transmission electron microscopy), and XRD (X-ray diffraction). The in vitro release and antioxidant activity of the capsaicin loaded nHAP/PXS/CAP scaffold were evaluated by UV-Visible spectroscopy. Cytotoxicity against the Saos-2 cancer line and cell viability in the osteoblast cell MG63 are reported. Eventually, the composite enlarges the creation of reactive oxygen species (ROS) in Saos-2 cells

Characterisation of mitochondrial haplotypes occurred in a Candida albicans population

The genetic background of mitochondrial DNA polymorphism in Candida albicans was studied by physical and functional mapping of four haplotypes identified recently in a hospital-population. The restriction patterns revealed considerable differences; however, the size of the mitochondrial DNA did not vary significantly. Sequence data demonstrated that size differences arose by short deletions, while restriction fragment length polymorphisms are caused by nucleotide substitutions in single sites. Gene rearrangement could not be detected; nevertheless, the coincidence of nucleotide substitution pattern in the inverted repeat region suggested the occurrence of homologue recombination

Hygromycin B, carboxin and nourseothricin susceptibility of polyunsaturated fatty acid producing Mortierella and Umbelopsis strains

Mortierella and Umbelopsis species are particularly active in polyunsaturated fatty acid (PUFA) synthesis as they are able to produce many ω-3 and ω-6 PUFAs. Genetic manipulation of the lipid production to generate PUFA overproducing strains and strains with altered PUFA profile requires well-established transformation systems and reliable selectable markers. Therefore, we screened different antifungal agents, which can be used for selection in further transformation experiments. Hygromycin B, carboxin, pyrithiamine and nourseothricin susceptibility of several Mortierella and Umbelopsis isolates was investigated using a broth microdilution method. Pyrithiamine was totally ineffective against all isolates while the other three antifungal agents were active against Mortierella and Umbelopsis strains. Several Mortierella isolates represented high sensitivity to hygromycin B whilst nourseothricin was rather active against Umbelopsis species. Carboxin inhibited the hyphal growth and the spore germination of all isolates completely in low concentrations

Green synthesis of silver nanoparticles using <i>Atalantia monophylla</i>: A potential eco-friendly agent for controlling blood-sucking vectors

Abstract Developing floral-based replacement molecules might manage blood-sucking vectors in an eco-friendly way. Atalantia monophylla (Am) aqueous leaf extract (ALE) and silver nanoparticles (AgNPs) were evaluated against mosquitoes (Aedes vittatus, Anopheles subpictus, and Culex vishnui) and ticks (Haemaphysalis bispinosa, Rhipicephalus microplus, and R. sanguineus) at different concentrations. Phytochemical screening and AgNPs' synthesis were performed on ALE of A. monophylla. UV-visible spectroscopy, Fourier-transform infrared (FTIR) spectroscopy, scanning electron microscope, and transmission electron microscope were used to examine the synthesized Am-AgNPs. A. monophylla's ALE included alkaloids, flavonoids, saponins, tannins, triterpenes, coumarins, anthraquinones, and phenolics. Am-AgNPs had a higher LC50 (22.19, 23.92, 26.09, 40.25, 51.87, and 60.53 μg·mL−1, respectively) than leaf aqueous extract (LAE) against Ae. vittatus, An. subpictus, Cx. vishnui, H. bispinosa, R. microplus, and R. sanguineus larvae. A. monophylla ALE and Am-AgNPs' bio-toxicity was investigated against aquatic and terrestrial non-target species (Acilius sulcatus, Anisops bouvieri, Araneus mitificus, and Cyrtophora moluccensis) with LC50 values ranging from 2,094.5 to 10,532.8 μg·mL−1, respectively. A. monophylla ALE and Am-AgNPs had little negative impacts on the chosen non-target fauna. Environmental protection is important nowadays. Green AgNPs are low-cost, readily accessible, environmentally safe, and effective pesticides. Am-AgNPs are effective alternative insecticides, requiring a considerable study on this plant to control blood-sucking vectors for worldwide human/animal health importance

In vitro activity of calcium channel blockers in combination with conventional antifungal agents against clinically important filamentous fungi

Despite the current therapeutic options, filamentous fungal infections are associated with high mortality rate especially in immunocompromised patients. In order to find a new potential therapeutic approach, the in vitro inhibitory effect of two antiarrhythmic agents, diltiazem and verapamil hydrochloride were tested against different clinical isolates of ascomycetous and mucoralean filamentous fungi. The in vitro combinations of these non-antifungal drugs with azole and polyene antifungal agents were also examined. Susceptibility tests were carried out using the broth microdilution method according to the instructions of the Clinical and Laboratory Standards Institute document M38-A2. Checkerboard microdilution assay was used to assess the interactions between antifungal and non-antifungal drugs. Compared to antifungal agents, diltiazem and verapamil hydrochloride exerted a relatively low antifungal activity with high minimal inhibitory concentration values (853–2731 μg/ml). Although in combination they could increase the antifungal activity of amphotericin B, itraconazole and voriconazole. Indifferent and synergistic interactions were registered in 33 and 17 cases, respectively. Antagonistic interactions were not revealed between the investigated compounds. However, the observed high MICs suggest that these agents could not be considered as alternative systemic antifungal agents