Synthesis, characterization, antimicrobial activity and molecular docking studies of combined pyrazol-barbituric acid pharmacophores

Purpose: To synthesize, and determine the antibacterial activity and binding mode of new pyrazolbarbituric acid derivatives in a search for new antimicrobial agents.Methods: One-pot multi-component reaction of aldehyde derivatives, barbituric acid and 3-methyl-1- phenyl-1H-pyrazol-5(4H)-one in the presence of NHEt2 to afford Michael adduct was carried out. The reaction was carried out in water and afforded new heterocycles in a one-step fashion, with expedient work-up and high yield without extraction and purification steps. The synthesized compounds were evaluated for antimicrobial activity using agar disc diffusion. Molecular docking approach via MOE-Dock program was applied to predict the binding interactions of some of the new pyrazol-barbituric acid derivatives against six different target proteins downloaded from Protein Data Bank.Results: A series of pyrazole-barbituric acid derivatives were successfully synthesized and characterized. The synthesized compounds showed moderate to very good antibacterial activity against S. aureus ATCC 29213 and E. faecalis ATCC29212, as well as also antifungal activity against Candida albicans ATCC 10400Conclusion: A series of pyrazole-barbituric acid derivatives has been synthesized and some of them display antimicrobial activities.Keywords: Pyrazole, Barbituric acid, Pyrazole-barbituric acid derivatives, Antimicrobial activity, Molecular dockin

Antimicrobial, anticancer, and biofilm inhibition studies of highly reduced graphene oxide (HRG): In vitro and in silico analysis

Background: Bacterial infections and cancers may cause various acute or chronic diseases, which have become serious global health issues. This requires suitable alternatives involving novel and efficient materials to replace ineffective existing therapies. In this regard, graphene composites are being continuously explored for a variety of purposes, including biomedical applications, due to their remarkable properties.Methods: Herein, we explore, in-vitro, the different biological properties of highly reduced graphene oxide (HRG), including anti-cancer, anti-bacterial, and anti-biofilm properties. Furthermore, to analyze the interactions of graphene with proteins of microbes, in silico docking analysis was also carried out. To do this, HRG was prepared using graphene oxide as a precursor, which was further chemically reduced to obtain the final product. The as-prepared HRG was characterized using different types of microscopic and spectroscopic techniques.Results: The HRG revealed significant cytotoxic ability, using a dose-dependent anti-cell proliferation approach, which substantially killed human breast cancer cells (MCF-7) with IC50 of 29.51 ± 2.68 μg/mL. The HRG demonstrated efficient biological properties, i.e., even at low concentrations, HRG exhibited efficient anti-microbial properties against a variety of microorganisms. Among the different strains, Gram-positive bacteria, such as B. subtilis, MRSA, and S. aureus are more sensitive to HRG compared to Gram-negative bacteria. The bactericidal properties of HRG are almost similar to a commercially available effective antibiotic (ampicillin). To evaluate the efficacy of HRG against bacterial biofilms, Pseudomonas aeruginosa and MRSA were applied, and the results were compared with gentamycin and ampicillin, which are commonly applied standard antibiotics. Notably, HRG demonstrated high inhibition (94.23%) against P.aeruginosa, with lower MIC (50 μg/mL) and IC50 (26.53 μg/mL) values, whereas ampicillin and gentamicin showed similar inhibition (90.45% and 91.31% respectively) but much higher MIC and IC50 values.Conclusion: Therefore, these results reveal the excellent biopotential of HRG in different biomedical applications, including cancer therapy; antimicrobial activity, especially anti-biofilm activity; and other biomedicine-based therapies. Based on the molecular docking results of Binding energy, it is predicted that pelB protein and HRG would form the best stable docking complex, and high hydrogen and hydrophobic interactions between the pelB protein and HRG have been revealed. Therefore, we conclude that HRG could be used as an antibiofilm agent against P. aeruginosa infections

Synthesis of high-performance aqueous fluorescent nanodispersions for textile printing — a study of influence of moles ratio on fastness properties

Aqueous fluorescent dispersions containing dyed acrylic-based copolymer nanoparticles possess significant credentials concerning green technology as compared to those prepared with the conventional vinyl-based monomers in textile and garment sectors; however, their essential textile fastness properties are yet to achieve. In the present work, a series of acrylic nanodispersions were synthesized by varying the moles ratio of benzyl methacrylate (BZMA), methyl methacrylate (MMA), and 2-hydroxypropyl methacrylate (HPMA) monomers. This was done to study their effect on dye aggregation and dyed polymer particles agglomeration. FT-IR spectral analysis showed the formation of polymer structures, while Malvern Analyzer, Transmission Electron Microscopy, and Scanning Electron Microscopy analysis suggested that the particles are spherical in shape and their size is less than 200 nm. The obtained nanodispersions were later applied on cotton fabrics for the evaluation of wash fastness and colour migration. Premier color scan spectrophotometer and zeta potential measurement studies suggested that colour migration of printed cotton fabrics increased with an increasing agglomeration of particles and it was also observed to increase with the moles ratio of MMA and zeta potentials

Comparative Catalytic Evaluation of Nano-ZrO x

This work reports the zirconia (ZrOx) nanoparticles doped MnCO3 catalysts prepared by facile and simple coprecipitation technique and the synthesis of zirconia-manganese carbonate [X% ZrOx–MnCO3] (where X% = 0–7%) catalyst which upon calcination at 400°C is converted to zirconia-manganese dioxide [1% ZrOx–MnO2] and when calcined at 500°C is converted to zirconia-manganic trioxide [1% ZrOx–Mn2O3]. A comparative catalytic study was performed to investigate the catalytic efficiency between carbonate and oxides for the selective oxidation of 1-phenylethanol by using molecular O2 as a clean oxidant. The influence of several parameters such as w/w% of ZrOx, reaction time, calcination temperature, catalyst amount, and reaction temperature has been thoroughly examined using oxidation of 1-phenylethanol as a model substrate. The 1% ZrOx–MnCO3 precalcined at 300°C exhibited the best catalytic efficiency. It was found that ZrOx nanoparticles also play an essential role in enhancing the effectiveness of the catalytic system for the aerobic oxidation of alcohols. Furthermore, the physical and chemical properties of synthesized catalysts were evaluated by microscopic and spectroscopic techniques. An extremely high specific activity of 40 mmol·g−1·h−1 with a 100% conversion of oxidation product and selectivity of >99% was achieved within extremely short reaction time (6 min)

Evaluation of Biological Activities of Chemically Synthesized Silver Nanoparticles

Silver nanoparticles were synthesized by the earlier reported methods. The synthesized nanoparticles were characterized using ultraviolet-visible spectrophotometry (UV/Vis), transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDX), and X-ray powder diffraction (XRD). The synthesized materials were also evaluated for their antibacterial activity against Gram positive and Gram negative bacterial strains. TEM micrograph showed the spherical morphology of AgNPs with size range of 40–60 nm. The synthesized nanoparticles showed a strong antimicrobial activity and their effect depends upon bacterial strain as AgNPs exhibited greater inhibition zone for Pseudomonas aeruginosa (19.1 mm) followed by Staphylococcus aureus (14.8 mm) and S. pyogenes (13.6 mm) while the least activity was observed for Salmonella typhi (12.5 mm) at concentration of 5 µg/disc. The minimum inhibitory concentration (MIC) of AgNPs against S. aureus was 2.5 µg/disc and less than 2.5 µg/disc for P. aeruginosa. These results suggested that AgNPs can be used as an effective antiseptic agent for infectious control in medical field

Green Synthesis of Chitosan Nanoparticles Using of <i>Martynia annua</i> L. Ethanol Leaf Extract and Their Antibacterial Activity

The herbal-based drug isolation-related research has increased recently around the globe. Accordingly, the current study was designed to evaluate the phytochemical content of ethanol extract of Martynia annua and its chitosan nanoparticles (MA-CNPs) antibacterial activity against bacterial pathogens such as Bacteroides fragilis, Streptococcus oralis MTCC 2696, Propionibacterium acnes MTCC 1951, Pseudomonas aeruginosa MTCC 424, Staphylococcus aureus MTCC 2940, E. coli MTCC 443, Bacillus cereus MTCC 441, Streptococcus mutans MTCC 890, Aeromonas hydrophila MTCC 12301, and Streptococcus faecalis by agar well diffusion methods. The obtained results showed that the ethanol extract of M. annua contains more pharmaceutically valuable phytochemicals than other solvent extracts and its mediated chitosan nanoparticles showed effective antibacterial activities. The ethanol extract also effectively reduced, capped, and stabilized the chitosan into MA-CNPs. The green synthesized MA-CNPs were characterized and confirmed through UV-visible spectrophotometer, FT-IR, SEM, and DLS analyses. The MA-CNPs exhibited considerable antibacterial activity in the order of Bacteroides fragilis > Streptococcus oralis > Propionibacterium acnes > Pseudomonas aeruginosa > Staphylococcus aureus > E. coli > Bacillus cereus > Streptococcus mutans > Aeromonas hydrophila> Streptococcus faecalis. Finally, the results strongly recommended that the ethanol extract of M. annua-mediated chitosan nanoparticles could be considered an effective nanomaterial to control microbial pathogens. Further, therapeutical uses of MA-CNPs need in vitro and in vivo investigation

Evaluation of Antioxidant, Cytotoxic, Mutagenic and Other Inhibitory Potentials of Green Synthesized Chitosan Nanoparticles

The current study was performed with aim of evaluating antioxidant, cytotoxicity, &alpha;-amylase, and &alpha;-glucosidase inhibitory activities and mutagenicity properties of Martynia annua mediated Chitosan nanoparticles (MAL-CNPs). The green synthesized MAL-CNPs were characterized and confirmed through several characterization techniques, including UV-visible spectroscopy (UV-Vis), high-resolution transmission electron microscopy (HRTEM), scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FT-IR), and dynamic light scattering (DLS). The HR-TEM analysis exhibited that the as-synthesized chitosan nanoparticles are spherical in shape. Furthermore, the DLS analysis exhibited that the average size of MAL-CNPs was 53 nm and the maximum diameter was 130.7 nm. The antioxidant activity results revealed that the MAL-CNPs showed DPPH (2,2-diphenyl-1-picrylhydrazyl) (66.78%) and H2O2 (91.65%) scavenging activities at 50 &micro;g/mL concentration. The IC50 values were 2.431 &mu;g/mL and 50 &micro;g/mL for DPPH and H2O2, respectively. MTT (3-4, 5 dimethylthiazol-2yl-2, 5-diphenyltetrazolium bromide) assay results exhibited dose-dependent cytotoxicity found from 50 &mu;g/mL concentration of MAL-CNPs. The MAL-CNPs showed remarkable &alpha;-glucosidase and &alpha;-amylase inhibitory activity (IC50 1.981 &mu;g/mL and 161.8 &mu;g/mL). No toxic effect of MAL-CNPs was found through the Ames test. Further, the study concluded that MAL-CNPs are non-toxic and possess adequate antioxidants and cytotoxicity activity against cancer cells, &alpha;-glucosidase, and &alpha;-amylase inhibitory activity. Hence, the MAL-CNPs were considered for biomedical applications after the assessment of their efficiency and safety

Evaluation of Antioxidant, Cytotoxic, Mutagenic and Other Inhibitory Potentials of Green Synthesized Chitosan Nanoparticles

The current study was performed with aim of evaluating antioxidant, cytotoxicity, α-amylase, and α-glucosidase inhibitory activities and mutagenicity properties of Martynia annua mediated Chitosan nanoparticles (MAL-CNPs). The green synthesized MAL-CNPs were characterized and confirmed through several characterization techniques, including UV-visible spectroscopy (UV-Vis), high-resolution transmission electron microscopy (HRTEM), scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FT-IR), and dynamic light scattering (DLS). The HR-TEM analysis exhibited that the as-synthesized chitosan nanoparticles are spherical in shape. Furthermore, the DLS analysis exhibited that the average size of MAL-CNPs was 53 nm and the maximum diameter was 130.7 nm. The antioxidant activity results revealed that the MAL-CNPs showed DPPH (2,2-diphenyl-1-picrylhydrazyl) (66.78%) and H2O2 (91.65%) scavenging activities at 50 µg/mL concentration. The IC50 values were 2.431 μg/mL and 50 µg/mL for DPPH and H2O2, respectively. MTT (3-4, 5 dimethylthiazol-2yl-2, 5-diphenyltetrazolium bromide) assay results exhibited dose-dependent cytotoxicity found from 50 μg/mL concentration of MAL-CNPs. The MAL-CNPs showed remarkable α-glucosidase and α-amylase inhibitory activity (IC50 1.981 μg/mL and 161.8 μg/mL). No toxic effect of MAL-CNPs was found through the Ames test. Further, the study concluded that MAL-CNPs are non-toxic and possess adequate antioxidants and cytotoxicity activity against cancer cells, α-glucosidase, and α-amylase inhibitory activity. Hence, the MAL-CNPs were considered for biomedical applications after the assessment of their efficiency and safety

Vegetable-Oil-Based Hyperbranched Polyester-Styrene Copolymer Containing Silver Nanoparticle as Antimicrobial and Corrosion-Resistant Coating Materials

Pongamia oil (PO) was converted to Pongamia oil hydroxyl (POH) via epoxidation process. The esterification of POH with linolenic acid was carried out to form hyperbranched polyester (HBPE), and further styrenation was performed at the conjugated double bond in the chain of linolenic acid. After styrenation, silver nanoparticle was added in different weight percentages (0.1–0.4 wt%). The structural elucidation of POH, HBPE, and HBPE-St was carried out by FT-IR, 1H-NMR, and 13C-NMR spectroscopic techniques. Physicochemical and physicomechanical analyses were performed by standard method. Thermal behavior of the HBPE-St was analyzed by using thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The coatings of HBPE-St were prepared on mild steel strips. The anticorrosive behavior of HBPE-St resin-based coatings in acid, saline, and tap water was evaluated, and the molecular weight of HBPE-St was determined by gel permeation chromatography (GPC). The antibacterial activities of the HBPE-St copolymers were tested in vitro against bacteria and fungi by disc diffusion method. The HBPE-St copolymers exhibited good antibacterial activities and can be used as antimicrobial and corrosion-resistant coating materials

Development of Castor Oil Based Poly(urethane-esteramide)/TiO2 Nanocomposites as Anticorrosive and Antimicrobial Coatings

Castor oil based polyesteramide (CPEA) resin has been successfully synthesized by the condensation polymerization of N-N-bis (2-hydroxyethyl) castor oil fatty amide (HECA) with terephthalic acid and further modified with different percentages of 7, 9, 11, and 13 wt.% of toluene-2,4-diisocyanate (TDI) to obtain poly(urethane-esteramide) (UCPEA), via addition polymerization. TiO2 (0.1, 0.2, 0.3, 0.4, and 0.5 wt%) nanoparticles were dispersed in UCPEA resin. The structural elucidation of HECA, CPEA, and UCPEA has been carried out using FT-IR, 1H-NMR, and 13C-NMR spectroscopic techniques while physicochemical and physicomechanical properties were investigated by standard methods. Thermal stability and molecular weight of UCPEA have been assessed by thermogravimetric analysis (TGA) and gel permeation chromatography (GPC), respectively. Furthermore, the corrosion behavior of UCPEA coatings on mild steel has been investigated by potentiodynamic polarization measurements in different corrosive environments (3.5 wt% HCl, 5 wt% NaCl, 3.5 wt% NaOH, and tap water) at room temperature and surface analysis by scanning electron microscope (SEM) and energy dispersive X-ray (EDX). The antibacterial activities of the UCPEA were tested against bacteria and fungi by agar disc diffusion method. The results of this study have revealed that UCPEA nanocomposite coatings exhibit good physicomechanical, anticorrosion and antimicrobial properties, which can be safely used up to 200°C