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Microorganisms Sep 2023This study focused on the assessment of the antimicrobial resistance of () and () isolated from bovine mastitis milk samples and the revealing anti-mastitis potential...
This study focused on the assessment of the antimicrobial resistance of () and () isolated from bovine mastitis milk samples and the revealing anti-mastitis potential of phytocompounds of and through molecular docking analysis. The mastitis milk samples were collected from various dairy farms for the isolation of the bacteria ( and ) and their response to antibiotics. Ethanolic extracts of both plants were prepared. Their antibacterial activity was evaluated, and they were processed for phytochemical analysis after which, molecular docking analysis with pathogenic proteins of the bacteria was carried out. Parametric and non-parametric statistical analyses were performed to reach the conclusions of this study. The findings of the study revealed a higher drug resistance (≥40%) of against ampicillin, amikacin, and vancomycin, while exhibited the highest resistance to ampicillin, erythromycin, and ciprofloxacin. The ethanolic extracts of the and plants produced a ZOI between 18 and 23 mm against multidrug-resistant and . Gas chromatography-mass spectrophotometry (GC-MS) was used to explore 15 phytocompounds from and 18 phytocompounds from . The molecular docking analysis of 2cyclopenten-1-one,3,4,4 trimethyl and Bis (2ethylhexyl) phthalate of showed a binding affinity of -4.8 kcal/mol and -5.3 kcal/mol and -5.9 kcal/mol and -7.1 kcal/mol against the DNA Gyrase and toxic shock syndrome toxin-1 proteins of and , respectively. The suberic acid monomethyl ester of showed a binding affinity of -5.9 kcal/mol and -5 kcal/mol against the outer membrane protein A and Topoisomerase IV protein of and -5.1 kcal/mol and -5.8 kcal/mol against the toxic shock syndrome toxin-1 and Enterotoxin B proteins of . Similarly, 2,2,4-trimethyl-1,3-pentanediol di-iso-butyrate showed a binding affinity of -6.5 kcal/mol and -5.3 kcal/mol against the outer membrane protein A and Topoisomerase IV of and -5.2 kcal/mol and -5.9 kcal/mol against the toxic shock syndrome toxin-1 and Enterotoxin B proteins of , respectively. The study concluded that there was an increasing trend for the antimicrobial resistance of and , while the and plant extracts expressed significant affinity to tackle this resistance; hence, this calls for the development of novel evidence-based therapeutics.
PubMed: 37894108
DOI: 10.3390/microorganisms11102450 -
Antioxidants (Basel, Switzerland) Sep 2023The research aimed to determine the chemical composition, the antioxidant and anti-inflammatory activity as well as the antimicrobial activity against Gram-positive,...
The research aimed to determine the chemical composition, the antioxidant and anti-inflammatory activity as well as the antimicrobial activity against Gram-positive, Gram-negative and two fungal ATCC strains of a commercial essential oil (BEO) containing , , , and . Additionally, molecular docking was carried out to show the molecular dynamics of the compounds identified from the essential oil against three bacterial protein targets and one fungal protein target. The major components identified by GC-MS (Gas Chromatography-Mass Spectrometry) were represented by α-pinene, followed by limonene. Evaluation of antioxidant activity using the DPPH (2,2-Diphenyl-1-Picrylhydrazyl) method showed high inhibition comparable to the synthetic antioxidant used as a control. Oxidative stability evaluation showed that BEO has the potential to inhibit primary and secondary oxidation products with almost the same efficacy as butylated hydroxyanisole (BHA). The use of BEO at a concentration of 500 ppm provided the best protection against secondary oxidation during 30 days of storage at room temperature, which was also evident in the peroxide value. Regarding the in vitro anti-inflammatory activity, the membrane lysis assay and the protein denaturation test revealed that even if the value of protection was lower than the value registered in the case of dexamethasone, the recommendation of using BEO as a protective agent stands, considering the lower side effects. Gram-positive bacteria proved more sensitive, while presented different sensitivity, with higher MICs (minimal inhibitory concentration). demonstrated a MIC at 2% but with consecutive inhibitory values in a negative correlation with the increase in concentration, in contrast to , which demonstrated low inhibitory rates at high concentrations of BEO. The computational tools employed revealed interesting binding energies with compounds having low abundance. The interaction of these compounds and the proteins (tyrosyl-tRNA synthetase, DNA gyrase, peptide deformylase, 1,3-β-glucan synthase) predicts hydrogen bonds with amino acid residues, which are reported in the active sites of the proteins. Even so, compounds with low abundance in BEO could render the desired bioactive properties to the overall function of the oil sustained by physical factors such as storage and temperature. Interestingly, the findings from this study demonstrated the antioxidant and antimicrobial potential of essential oil against food-related pathogens, thus making the oil a good candidate for usage in food, feed or food-safety-related products.
PubMed: 37891886
DOI: 10.3390/antiox12101807 -
ACS Omega Oct 2023Copper oxide nanoparticles (CuONPs) are used in many fields from electronics to medicine due to their multifunctionality, and therefore, their production with...
Copper oxide nanoparticles (CuONPs) are used in many fields from electronics to medicine due to their multifunctionality, and therefore, their production with environmentally friendly methods is a current issue. In this study, biofabricated CuONPs were obtained by using the leaf extract of plant originating from the Far East to enlighten the characteristics of the novel nanoparticles differentiating from those existing in the literature. Multifunctional nature of the CuONPs was evaluated by the antibacterial, antifungal, and decolorative applications and also by performing molecular docking analysis. The fabricated CuONPs were characterized using ultraviolet-visible spectroscopy (UV-vis), Fourier-transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), and dynamic light scattering (DLS). The absorbance seen at 270 nm in the SPR band obtained by UV-vis spectroscopy proved the presence of CuONPs, while the 602, 560, and 540 cm vibrations obtained in the FT-IR spectroscopy indicated the same result. SEM images proved that the nanoparticles were in spherical form with sizes ranging from 140 to 225 nm. The result of DLS analysis showed that the average particle size was 229 nm in diameter, and CuONPs had monodisperse systems (polydispersity index, 0.184). The dye removal potency of CuONPs was also investigated by using remazol brilliant blue R (RBBR) and napthol blue black (NBB). Decolorizations (74 and 86%) of RBBR and NBB were obtained in 90 min at 50 °C, respectively. The strong antibacterial properties of the synthesized CuONPs were observed on both Gram (-) and Gram (+) bacterial strains by disk diffusion and optical analyses, and their antifungal activity was close to that of Amphotericin B, which was applied as a positive control. Molecular docking analysis was performed with dihydrofolate reductase and DNA Gyrase B to analyze the antibacterial mechanisms of CuONP and observed that they exhibit good interactions with their targets with binding energies of -12.562 and -8.797 kcal/mol, respectively. Our findings suggested that CuONPs are crucial in the mechanisms of folate metabolism and DNA replication associated with bacterial proliferation. This work will provide significant guidance for the biofabrication of CuONPs and their medical and industrial applications.
PubMed: 37841194
DOI: 10.1021/acsomega.3c03591 -
ACS Omega Oct 2023As the population grows, the scientific community remains focused on researching new materials, methods, and devices to ensure the availability of safe drinking water....
As the population grows, the scientific community remains focused on researching new materials, methods, and devices to ensure the availability of safe drinking water. The main aim of this research was to decrease the recombination rate of the charge carriers of LaO and enhance the catalytic and antimicrobial activity by employing Y/Cs- doped LaO respectively. In the current study, different concentrations of yttrium (Y) and a fixed amount of carbon spheres (Cs) doped into lanthanum oxide (LaO) nanostructures (NSs) were synthesized by the coprecipitation technique. Cs are used as a cocatalyst as they have a high surface area and small size attributed to increased active sites and decreased recombination rate. Moreover, Y was further incorporated as it activates the generation of reactive oxygen species in the inhibition zone, enhancing the antibacterial activity and reducing the emission intensity. Advanced techniques were utilized to determine the structural properties, optical emission and absorption, elemental composition, and -spacing of the synthesized samples. The reported ternary catalyst works efficiently, improving the catalytic activity and bactericidal potential. Moreover, in silico molecular docking studies, Cs-doped LaO and Y/Cs-doped LaO nanostructures toward DNA gyrase showed good efficacy for antibacterial activity.
PubMed: 37841132
DOI: 10.1021/acsomega.3c05938 -
Molecules (Basel, Switzerland) Oct 2023Antibiotic resistance is a global threat to public health, and the search for new antibacterial therapies is a current research priority. The aim of this in silico study...
Antibiotic resistance is a global threat to public health, and the search for new antibacterial therapies is a current research priority. The aim of this in silico study was to test nine new fluoroquinolones previously designed with potential leishmanicidal activity against , , , , and , all of which are considered by the World Health Organization to resistant pathogens of global concern, through molecular docking and molecular dynamics (MD) simulations using wild-type (WT) and mutant-type (MT) DNA gyrases as biological targets. Our results showed that compound had the best binding energy with the active site of in both molecular docking and molecular dynamics simulations. Compound interacted with residues of quinolone resistance-determining region (QRDR) in GyrA and GyrB chains, which are important to enzyme activity and through which it could block DNA replication. In addition to compound , compound also showed a good affinity for DNA gyrase. Thus, these newly designed molecules could have antibacterial activity against Gram-negative microorganisms. These findings represent a promising starting point for further investigation through in vitro assays, which can validate the hypothesis and potentially facilitate the development of novel antibiotic drugs.
Topics: Fluoroquinolones; Escherichia coli; Molecular Docking Simulation; Anti-Bacterial Agents; Quinolones; DNA Gyrase; Drug Resistance, Bacterial; Microbial Sensitivity Tests
PubMed: 37836772
DOI: 10.3390/molecules28196929 -
International Journal of Molecular... Oct 2023A novel derivative of ciprofloxacin (Cpx) was synthesized and characterized using various analytical techniques, including FT-IR spectroscopy, UV-Vis spectroscopy, TEM...
Synthesis, Physicochemical Characterization using a Facile Validated HPLC Quantitation Analysis Method of 4-Chloro-phenylcarbamoyl-methyl Ciprofloxacin and Its Biological Investigations.
A novel derivative of ciprofloxacin (Cpx) was synthesized and characterized using various analytical techniques, including FT-IR spectroscopy, UV-Vis spectroscopy, TEM and SEM analysis, H NMR, C NMR, and HPLC analysis. The newly prepared Cpx derivative (Cpx-Drv) exhibited significantly enhanced antibacterial properties compared to Cpx itself. In particular, Cpx-Drv demonstrated a 51% increase in antibacterial activity against and a 30% improvement against . It displayed potent inhibitory effects on topoisomerases II (DNA gyrase and topoisomerase IV) as potential molecular targets, with IC50 values of 6.754 and 1.913 µg/mL, respectively, in contrast to Cpx, which had IC50 values of 2.125 and 0.821 µg/mL, respectively. Docking studies further supported these findings, showing that Cpx-Drv exhibited stronger binding interactions with the gyrase enzyme (PDB ID: 2XCT) compared to the parent Cpx, with binding affinities of -10.3349 and -7.7506 kcal/mole, respectively.
Topics: Ciprofloxacin; Staphylococcus aureus; Chromatography, High Pressure Liquid; Spectroscopy, Fourier Transform Infrared; Microbial Sensitivity Tests; Anti-Bacterial Agents; DNA Gyrase; Molecular Docking Simulation; Topoisomerase II Inhibitors
PubMed: 37834266
DOI: 10.3390/ijms241914818 -
Microbiology Spectrum Dec 2023Fluoroquinolones (FQs) play a key role in the treatment regimens against tuberculosis and non-tuberculous mycobacterial infections. However, there are significant...
Fluoroquinolones (FQs) play a key role in the treatment regimens against tuberculosis and non-tuberculous mycobacterial infections. However, there are significant differences in the sensitivities of different mycobacteria to FQs. In this study, we proved that this is associated with the polymorphism at amino acid 17 of quinolone resistance-determining region of Gyrase A by gene editing. This is the first study using CRISPR-associated recombination for gene editing in to underscore the contribution of the amino acid substitutions in GyrA to FQ susceptibilities in mycobacteria.
Topics: Fluoroquinolones; Amino Acids; DNA Gyrase; Microbial Sensitivity Tests; Mycobacterium; Mutation; Drug Resistance, Bacterial; Mycobacterium tuberculosis
PubMed: 37831477
DOI: 10.1128/spectrum.02809-23 -
Heliyon Oct 2023Chalcones and their derivatives have been widely studied due to their versatile pharmacological and biological activities, such as anti-inflammatory, antibacterial,... (Review)
Review
Chalcones and their derivatives have been widely studied due to their versatile pharmacological and biological activities, such as anti-inflammatory, antibacterial, antiviral, and antitumor effects. These compounds have shown suitable antiviral effects through the selective targeting of a variety of viral enzymes, including lactate dehydrogenase, glyceraldehyde-3-phosphate dehydrogenase (GAPDH), fumarate reductase, protein tyrosine phosphatase, topoisomerase-II, protein kinases, integrase/protease, and lactate/isocitrate dehydrogenase, among others. Chalcones and their derivatives have displayed excellent potential for combating pathogenic bacteria and fungi (especially, multidrug-resistant bacteria). However, relevant mechanisms should be further explored, focusing on inhibitory effects against DNA gyrase B, UDP-N-acetylglucosamine enolpyruvyl transferase (MurA), and efflux pumps (e.g. NorA), among others. In addition, the antifungal and antiparasitic activities of these compounds (e.g., antitrypanosomal and antileishmanial properties) have prompted additional explorations. Nonetheless, systematic analysis of the relevant mechanisms, biosafety issues, and pharmacological properties, as well as clinical translation studies, are vital for practical applications. Herein, recent advancements pertaining to the antibacterial, antiviral, antiparasitic, and antifungal activities of chalcones and their derivatives are deliberated, focusing on the relevant mechanisms of action, crucial challenges, and future prospects. Furthermore, due to the great importance of greener and more sustainable synthesis of these valuable compounds, especially on an industrial scale, the progress made in this field has been briefly discussed. Hopefully, this review can serve as a catalyst for researchers to delve deeper into the exploration and designing of novel chalcone compounds with medicinal properties, especially against pathogenic viruses and multidrug-resistant bacteria as major causes of concern for human health.
PubMed: 37810815
DOI: 10.1016/j.heliyon.2023.e20428 -
Microbiology Spectrum Dec 2023Quinolone-resistant nontyphoidal is a pressing public health concern, demanding the exploration of novel treatments. In this study, we focused on two innovative...
Quinolone-resistant nontyphoidal is a pressing public health concern, demanding the exploration of novel treatments. In this study, we focused on two innovative synthetic fluoroquinolones, WQ-3034 and WQ-3154. Our findings revealed that these new compounds demonstrate potent inhibitory effects, even against mutant strains that cause resistance to existing quinolones. Hence, WQ-3034 and WQ-3154 could potentially be effective therapeutic agents against quinolone-resistant Typhimurium. Furthermore, the data obtained in this study will be baseline information for antimicrobial drug development.
Topics: Quinolones; Salmonella typhimurium; DNA Gyrase; Anti-Bacterial Agents; Microbial Sensitivity Tests; Fluoroquinolones; Drug Resistance, Bacterial
PubMed: 37795999
DOI: 10.1128/spectrum.01330-23 -
ACS Omega Sep 2023This study was used to evaluate the catalytic activity (CA) and bactericidal activity of α-MoO and Sm-g-CN-doped α-MoO composites prepared through an efficient,...
This study was used to evaluate the catalytic activity (CA) and bactericidal activity of α-MoO and Sm-g-CN-doped α-MoO composites prepared through an efficient, cost-effective coprecipitation route. Their characteristic studies verify the formation of α-MoO and its composites (3, 6, and 9 mL Sm-g-CN-doped α-MoO), which showed high crystallinity, as confirmed by X-ray diffraction (XRD) analysis. The production of superoxide and hydroxyl radicals due to charge transfer through α-MoO and g-CN eventually forms electrons in g-CN and holes around α-MoO. CA against Rhodamine B (RhB) in basic medium provides maximum results compared to acidic and neutral media. The bactericidal efficacy of the (9 mL) doped sample represents a greater inhibition zone of 6.10 mm against the negative bacterial strain . Furthermore, in silico studies showed that the generated nanorods may inhibit DNA gyrase and dihydropteroate synthase (DHPS) enzymes.
PubMed: 37779977
DOI: 10.1021/acsomega.3c03910