First report of betalain production from endolichenic Bacillus sp. LDAB-1 from Dirinaria aegilita: Insights from novel quantification methodology of image processing.

Pigments are widely used in food supplements envisaging attractive colors along with health benefits. The desired advancements in the nutraceutical and antioxidant properties of pigments utilized in food products necessitate the search for novel additives. The present study is the first in the field to report the pigment-producing endolichenic bacteria, Bacillus sp. LDAB-1 from Dirinaria aegilita. Morphological, biochemical, and molecular characterization of the bacterium emphasizes that ideal pigment production occurs when utilizing sucrose and sodium nitrate. The pigment was salted out and dialyzed for further qualitative characterization using ultraviolet-visible, fluorescence, and Fourier transform infrared spectra and the results corroborated the presence of betalains. The antioxidant activity of betalain is closer to the efficiency of α-tocopherol, which confers the pigment properties for antioxidant and nutraceutical significance. An optimal methodology for pigment affirmation is an issue when using an alternative methodology. Hence, the present assessment employs a comparative analysis of findings from both a spectrophotometric method and image processing technology encompassing RGB, CMYK, YCbCr, and L*a*b* color space models. Amongst these, the L*a*b* model potentially provides an effective modality for determining the pigment concentration. Bland-Altman plot analysis indicates similar consistency levels in betalain quantification by both methods at 95% confidence intervals, affirming the integrity and consistency of color image processing technology. Consequently, the present study represents novelty and innovativeness in reporting endolichenic Bacillus sp. LDAB-1 from D. aegilita and a rational image optimization protocol for pigment elucidation characteristics.

Highly fluorescent hybrid nanofibers as potential nanofibrous scaffolds for studying cell-fiber interactions.

In this study, we report on the fabrication of hybrid nanofibers for labeling and bioimaging applications. Our approach is involved for developing highly fluorescent nanofibers using a blend of polylactic acid, polyethyleneglycol, and perylenediimide dyes, through the solution blow spinning technique. The nanofibers are exhibited diameters ranging from 330 nm to 420 nm. Nanofibers showed excellent red and near-infrared fluorescence emissive properties in fluorescent spectroscopy. Moreover, the strong two-photon absorption phenomenon was observed for nanofibers under confocal microscopy. To assess the applicability of these fluorescent nanofibers in bioimaging settings, we employ two types of mammalian cells B16F1 melanoma cells and J774.A1 macrophages. Both cell types exhibit negligible cytotoxicity after 24 h incubation with the nanofibers, indicating the suitability of nanofibers for cell-based experiments. We also observe strong interactions between the nanofibers and cells, as evidenced by two major events: a) the acquisition of an elongated cellular morphology with the major cellular axis parallel to the nanofibers and b) the accumulation of actin filaments along the points of contact of the cells with the fibers. Our findings demonstrate the suitability of these newly developed fluorescent nanofibers in cell-based applications for guiding cellular behavior. We expect that these fluorescent nanofibers have the potential to serve as scaffold materials for long-time tracking of cell-fiber interactions in fluorescence microscopy.

A Visible-Light Regulated ATP Transport in Retinal-Modified Pillar[6]arene Layer-by-Layer Self-Assembled Sub-Nanochannel.

Natural light-responsive rhodopsins play a critical role in visual conversion, signal transduction, energy transmission, etc., which has aroused extensive interest in the past decade. Inspired by these gorgeous works of living beings, scientists have constructed various biomimetic light-responsive nanochannels to mimic the behaviors of rhodopsins. However, it is still challenging to build stimuli-responsive sub-nanochannels only regulated by visible light as the rhodopsins are always at the sub-nanometer level and regulated by visible light. Pillar[6]arenes have an open cavity of 6.7 Å, which can selectively recognize small organic molecules. They can be connected to ions of ammonium or carboxylate groups on the rims. Therefore, we designed and synthesized the amino and carboxyl-derived side chains of pillar[6]arenes with opposite charges. The sub-nanochannels were constructed through the electrostatic interaction of layer-by-layer self-assembled amino and carboxyl-derived pillar[6]arenes. Then, the natural chromophore of the retinal with visible light-responsive performance was modified on the upper edge of the sub-nanochannel to realize the visible light switched on and off. Finally, we successfully constructed a visible light-responsive sub-nanochannel, providing a novel method for regulating the selective transport of energy-donating molecules of ATP.

Visible Light-Gating Responsive Nanochannel for Controlled Release of the Fungicide.

Fungicides have been widely used to protect crops from the disease of pythium aphanidermatum (PA). However, excessive use of synthetic fungicides can lead to fungal pathogens developing microbicide resistance. Recently, biomimetic nano-delivery systems have been used for controlled release, reducing the overuse of fungicides, and thereby protecting the environment. In this paper, inspired by chloroplast membranes, visible light biomimetic channels are constructed by using retinal, the main component of green pigment on chloroplasts in plants, which can achieve the precise controlled release of the model fungicide methylene blue (MB). The experimental results show that the biomimetic channels have good circularity after and before light conditions. In addition, it is also found that the release of MB in visible light by the retinal-modified channels is 8.78 µmol·m-2·h-1, which is four times higher than that in the before light conditions. Furthermore, MB, a bactericide drug model released under visible light, can effectively inhibit the growth of PA, reaching a 97% inhibition effect. The biomimetic nanochannels can realize the controlled release of the fungicide MB, which provides a new way for the treatment of PA on the leaves surface of cucumber, further expanding the application field of biomimetic nanomembrane carrier materials.

Switchable metal extractant integrated miniaturized 3D-printed device: A semi-online multi-metal separation system for matrix-free ICP-MS analysis.

BACKGROUND: This study tackles the critical challenges in metal analysis by presenting an innovative miniaturized metal extraction device prototype. This device features a functional nanocomposite (FNC) enhanced 3D-printed polylactic acid (PLA) metal extractant (FNC@3D PLA). The research is motivated by the constraints of traditional solid-phase extraction (SPE) methods, specifically their limitations in handling competitive metal ion environments and matrix interference during inductively coupled plasma mass spectrometry (ICP-MS) analysis. The designed prototype aims to overcome these challenges and enhance the extraction efficiency of diverse metals. RESULTS: The FNC, designed to incorporate various functional groups critical for metal ion extraction efficiency, was meticulously engineered through the reaction of acid-treated and delaminated graphitic carbon nitride nanosheets (Thiol-gCN NSs) with 3-mercaptopropyl trimethoxysilane (MPTMS). The competitive metal ion extraction efficiency of FNC@3D PLA was demonstrated, showcasing notable limit of detection values of 3.2 ± 0.7 ng mL-1 and 8.57 ± 3.05 ng mL-1 for Cu and Ag, respectively. Furthermore, the miniaturized 3D-printed metal-preconcentration setup incorporating FNC@3D PLA exhibited favorable intraday relative standard deviation (RSD) percentage (%) values ranging from 1.23 to 8.6 for both Cu and Ag. Interday RSD % between 1.41 and 8.14 were observed under spiked real urine sample conditions. The sustainability and robustness of the proposed approach were underscored by substantial recovery % values exhibited by FNC@3D PLA, even after eight consecutive regeneration processes. SIGNIFICANCE: This study significantly contributes to the advancement of analytical methodologies by providing a reliable and efficient platform for metal extraction and preconcentration in practical metal analysis applications. Developed FNC@3D PLA system demonstrates its potential to address the challenges associated with SPE in metal analysis, especially in complex sample matrices. We believe implications of this research can be extended to various fields, from environmental monitoring to clinical diagnostics, where accurate and reliable metal analysis is paramount.

Topical antifungal keratitis therapeutic potential of Clitoria ternatea Linn. flower extract: phytochemical profiling, in silico modelling, and in vitro biological activity assessment.

Introduction: Fungal keratitis (FK) poses a severe threat to vision, potentially leading to blindness if not promptly addressed. Clitoria ternatea flower extracts have a history of use in Ayurvedic and Indian traditional medicines, particularly for treating eye ailments. This study investigates the antifungal and antibiofilm effects of Clitoria ternatea flower extracts on the FK clinical isolate Coniochaeta hoffmannii. Structural details and key compound identification were analysed through FTIR and GC-MS. Methods: The minimum inhibitory concentration (MIC) and minimum fungicidal concentration (MFC) of Clitoria ternatea flower extracts were determined using broth dilution and well plate techniques. Biofilm inhibitory activity was assessed through microscopic evaluation, while anti-irritant and cytotoxic properties were evaluated using CAE-EI and MTT assays. Through GC-MS and FT-IR analysis the compounds dissolved in the extract and their functional group were studied, and their toxicity screening and pharmacokinetic prediction were conducted in silico. Subsequently, compounds with high corneal permeability were further identified, and molecular docking and simulation studies at 150 ns were used to investigate their interactions with fungal virulence factors and human inflammatory proteins. Results and Discussion: At a concentration of 250 µg/mL, the Clitoria ternatea flower extract displayed effective biofilm inhibition. MIC and MFC values were determined as 500 and 1000 µg/mL, respectively. CAE-EI and MTT assays indicated no significant irritant and cytotoxic effects up to a concentration of 3 mg/mL. Compounds like 9,9-dimethoxybicyclo[3.3.1]nonane-2,4-dione showed high corneal permeability with strong and stable interactions with fungal virulence cellobiose dehydrogenase, endo ß 1,4 xylanase, and glucanase, as well as corneal inflammation-associated human TNF-α and Interleukin IL-1b protein targets. The findings indicate that extracts from C. ternatea flowers could be formulated for an effective and safe alternative for developing new topical FK therapeutics.

Simultaneous Effect of EBR on LLDPE and PDMS Rubber Blends and Its Nanocomposites for Cable Applications.

The impact of electron beam radiation on the blend of linear low-density polyethylene (LLDPE) and polydimethylsiloxane (PDMS) rubber at different doses from 50 to 300 kGy has been investigated. The irradiated sheets were examined for their morphology, gel content, thermal stability, melt behavior, and electrical and dielectric properties. The radiation treatment has reduced both the melting point and crystallinity of base polymers and their blends because of chain scission. As observed, 100 kGy doses of irradiated blend and 3 wt % of loaded nanosilica composite showed comparatively good thermal stability. The phase morphology of the LLDPE: PDMS rubber blend showed a honeycomb-like design before irradiation because of two-stage morphology, which prominently changed into a solitary stage after electron beam irradiation. This is because of intermolecular cross-link arrangement inside the singular parts, just like cross-linking development at the interface. From the AQFESEM study, it is observed that the stacking of nanosilica particles within the blend matrix is greatly reduced after electron beam irradiation. The addition of nanosilica within the blend increased the electrical conductivity and dielectric permittivity. The dielectric breakdown strength has been observed to be the highest for 3 wt % loaded nanocomposite and its irradiated sample. The result indicates that the nanocomposite can be utilized for high-voltage cable applications in indoor and outdoor fields.

Synthesis of functionalized mesoporous silica nanoparticles for colorimetric and fluorescence sensing of selective metal (Fe3+) ions in aqueous solution.

The fabrication of red fluorescent hybrid mesoporous silica-based nanosensor materials has promised the bioimaging and selective detection of toxic pollutants in aqueous solutions. In this study, we present a hybrid mesoporous silica nanosensor in which the propidium iodide (PI) was used to conveniently integrate into the mesopore walls using bis(trimethoxysilylpropyl silane) precursors. Various characterization techniques including X-ray diffraction (XRD), Fourier-transform infrared (FTIR), N2 adsorption-desorption, zeta potential, particle size analysis, thermogravimetric, and UV-visible analysis were used to analyze the prepared materials. The prepared PI integrated mesoporous silica nanoparticles (PI-MSNs) selective metal ion sensing capabilities were tested with a variety of heavy metal ions (100 mM), including Ni2+, Cd2+, Co2+, Zn2+, Cr3+, Cu2+, Al3+, Mg2+, Hg2+ and Fe3+ ions. Among the investigated metal ions, the prepared PI-MSNs demonstrated selective monitoring of Fe3+ ions with a significant visible colorimetric pink color change into orange and quenching of pink fluorescence in an aqueous suspension. The selective sensing behavior of PI-MSNs might be due to the interaction of Fe3+ ions with the integrated PI functional fluorophore present in the mesopore walls. Therefore, we emphasize that the prepared PI-MSNs could be efficient for selective monitoring of Fe3+ ions in an aqueous solution and in the biological cellular microenvironment.

Anti-infective Efficacy of Duloxetine against Catheter-Associated Urinary Tract Infections Caused by Gram-Positive Bacteria.

Catheter-associated urinary tract infections (CAUTIs) frequently occur following the insertion of catheters in hospitalized patients, often leading to severe clinical complications. These complications are exacerbated by biofilm-forming organisms such as Staphylococcus aureus, contributing to the emergence of multidrug-resistant (MDR) strains, which complicates treatment strategies. This study aims to investigate the antibacterial, antibiofilm, and antiadhesive properties of duloxetine against S. aureus in the context of CAUTI. Our findings demonstrate that duloxetine exhibits significant antibacterial activity, as evidenced by the agar diffusion method. A minimal inhibitory concentration (MIC) of 37.5 µg/mL was established using the microdilution method. Notably, duloxetine displayed inhibitory effects against biofilm formation on polystyrene surfaces up to its MIC level, as demonstrated by the crystal violet method. Intriguingly, the study also revealed that duloxetine could prevent biofilm formation at lower concentrations and reduce mature biofilms, as confirmed by scanning electron microscopy (SEM) and quantitative biofilm assays. Furthermore, duloxetine-coated silicone catheter tubes exhibited antibacterial properties against S. aureus in a bladder model, visualized by confocal laser scanning microscopy (CLSM) and corroborated through FDA and PI staining, highlighting noticeable morphological changes in S. aureus post-treatment. In conclusion, this study presents duloxetine as a promising alternative agent with antibacterial and antiadhesive properties against S. aureus in the prevention and management of CAUTI, warranting further exploration in the clinical setting.

Prosopis juliflora hydrothermal synthesis of high fluorescent carbon dots and its antibacterial and bioimaging applications.

Carbon dots have stimulated the curiosity of biomedical researchers due to their unique properties, such as less toxicity and high biocompatibility. The synthesis of carbon dots for biomedical application is a core area in research. In the current research, an eco-friendly hydrothermal technique was employed to synthesize high fluorescent, plant-derived carbon dots from Prosopis juliflora leaves extract (PJ-CDs). The synthesized PJ-CDs were investigated by physicochemical evaluation instruments such as fluorescence spectroscopy, SEM, HR-TEM, EDX, XRD, FTIR, and UV-Vis. The UV-Vis absorption peaks obtained at 270 nm due to carbonyl functional groups shifts of n→π*. In addition, a quantum yield of 7.88 % is achieved. The synthesized PJ-CDs showing the presence of carious functional groups O-H, C-H, C=O, O-H, C-N and the obtained particles in spherical shape with an average size of 8 nm. The fluorescence PJ-CDs showed stability against various environmental factors such as a broad range of ionic strength and pH gradient. The antimicrobial activity of PJ-CDs was tested against a Staphylococcus aureus, and a Escherichia coli. The results suggest that the PJ-CDs could substantially inhibit the growth of Staphylococcus aureus. The findings also indicate that PJ-CDs are effective materials for bio-imaging in Caenorhabditis elegans and they can be also used for pharmaceutical applications.

Prospective in vitro A431 cell line anticancer efficacy of zirconia nanoflakes derived from Enicostemma littorale aqueous extract.

Biomedical applications of zirconia nanomaterials were limited in biological systems. In this research, 8-15 nm size zirconia nanoflakes (ZrNFs) were fabricated and their nature, morphology, and biocompatibility were evaluated. The synthesis was carried out using Enicostemma littorale plant extract as an effective reducing and capping agent. Physiochemical properties of prepared ZrNFs were characterized using diverse instrumental studies such as UV-vis spectrophotometer, Fourier-transform infrared, powder X-ray diffractometer, scanning electron microscope, transmission electron microscope (TEM), energy dispersive X-ray, and cyclic voltammetry (CV). The XRD pattern confirmed the tetragonal phases of ZrNFs and the highest crystallite size of Zr0.02, Zr0.02, and Zr0.06 was 56, 50, and 44 nm, respectively. The morphology of samples was assessed using TEM. Electrophysiological effects of ZrNFs in the cellular interaction process were revealed by the slower rate of electron transfer results in CV demonstration. Biocompatibility of synthesized ZrNFs was studied on A431 human epidermoid carcinoma epithelial cells. The cell viability was increased with an increasing the concentration of nanoflakes up to 6.50-100 µg/mL. The cell viability and observed IC50 values (44.25, 36.49, and 39.62 µg/mL) reveals that the synthesized ZrNFs using E. littorale extract is found to be efficient toxic to A431 cancer cell lines.

Effect of carbons' structure and type on AC electrical properties of polymer composites: predicting the percolation threshold of permittivity through different models.

The AC electrical properties of EVA- and NBR-based composites filled with different conductive fillers were investigated. Result shows several magnitudes of increment in AC electrical conductivity and dielectric permittivity after the addition of these conductive fillers, indicating that these materials can be used as supercapacitors. The magnitude of increment was varied according to polymer and filler types. Herein, we also have tested the applicability of different sigmoidal models to find out the percolation threshold value of permittivity for these binary polymer composite systems. It is observed that except sigmoidal-Boltzmann and sigmoidal-dose-response models, other sigmoidal models exhibit different values of percolation threshold when considered for any particular polymer composite system. The paper discusses the variation in results of percolation threshold with an emphasis on the advantages, disadvantages and limitations of these models. We also have applied the classical percolation theory to predict the percolation threshold of permittivity and compared with all the reported sigmoidal models. To judge the unanimous acceptability of these models, they tested vis-à-vis the permittivity results of various polymer composites reported in published literature. To comprehend, all the models except the sigmoidal-logistic-1 model were successfully applicable for predicting the percolation threshold of permittivity for polymer composites. Supplementary Information: The online version contains supplementary material available at 10.1007/s00396-023-05120-2.

Preparation of gallotannin loaded chitosan/zinc oxide nanocomposite for photocatalytic degradation of organic dye and antibacterial applications.

Chitosan functionalization is a growing field of interest to enhance the unique characteristics of metal oxide nanoparticles. In this study, a facile synthesis method has been used to develop a gallotannin loaded chitosan/zinc oxide (CS/ZnO) nanocomposite. Initially, white color formation confirmed the formation, and physico-chemical natures of the prepared nanocomposite were examined using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) coupled with energy dispersive spectroscopy (EDS), and transmission electron microscopy (TEM). Crystalline of CS amorphous phase and ZnO patterns were demonstrated by XRD. FTIR revealed the presence of CS and gallotannin bio-active groups in the formed nanocomposite. Electron microscopy study exhibited that the produced nanocomposite had an agglomerated sheets like morphology with an average size of 50-130 nm. Further, the produced nanocomposite was evaluated for methylene blue (MB) degradation activity from aqueous solution. After 30 min of irradiation, the efficiency of nanocomposite degradation was found to be 96.64 %. Moreover, prepared nanocomposite showed a potential and concentration-dependent antibacterial activity against S. aureus. In conclusion, our findings demonstrated that prepared nanocomposite can be used as an excellent photocatalyst as well as a bactericidal agent in industrial and clinical sectors.

Synthesis and In Vitro Antimicrobial Evaluation of Photoactive Multi-Block Chalcone Conjugate Phthalimide and 1,8-Naphthalimide Novolacs.

Herein we report new multiblock chalcone conjugate phthalimide and naphthalimide functionalized copolymers with a topologically novel architecture synthesis using nucleophilic substitution and polycondensation methodology. The structures of the synthesized novolacs were elucidated on the basis of their spectroscopic analysis including FTIR, 1H NMR, and 13C NMR spectroscopy. Further, the number-average and weight-average molecular weights of the novolac polymers were determined by gel permeation chromatography (GPC). We examined the solubility of the synthesized polymers in various organic solvents including CHCl3, CH3CN, THF, H2O, CH3OH, DMSO, and DMF and found they are insoluble in both methanol and water. The novolac polymers were evaluated for their photophysical properties and microbial activities. The investigation of the antimicrobial activities of these polymers reveals significant antimicrobial activity against the pathogens E. coli, S. aureus, C. albicans, and A. niger.

Synthesis and Characterization of Pyridine-Grafted Copolymers of Acrylic Acid-Styrene Derivatives for Antimicrobial and Fluorescence Applications.

The goal of the present study was to copolymerize 3-(4-acetylphenylcarbamoyl) acrylic acid and styrene using azo-bis-isobutyronitrile (AIBN) as a catalyst. The resulting copolymers exhibited number average molecular weights (Mn) of 3.73-5.23 × 104 g/mol with a variable polydispersity (PDI = 2.3-3.8). The amide group of the PMA/PSA polymer was used for grafting poly (-styrene-maleic acid substituted aromatic 2-aminopyridine) by the Hantzsch reaction using a substituted aromatic aldehyde, malononitrile, and ammonium acetate. The polymer can emit strong blue fluorescence (λ = 510 nm) and its thermal stability and solubility were enhanced by polymer grafting. Moreover, the polymer showed the fluorescence spectra of the copolymer had a strong, broad emission band between 300 to 550 nm (maximum wavelength 538 nm) under excitation at 293 nm. The Hantzsch reaction yields an interesting class of nitrogen-based heterocycles that combine with a synthetic strategy for synthesis of grafted co-polymer pyridine-styrene derivatives. The as-prepared pyridine-based polymer compounds were screened against Gram-positive and Gram-negative bacteria, where a maximum inhibition zone toward all four types of bacteria was observed, including specific antifungal activity. Herein, a series of pyridine compounds were synthesized that showed enhanced fluorescent properties and antimicrobial properties due to their unique structure and ability to form polymer assemblies.

The antimicrobial activity of silver nanoparticles biocomposite films depends on the silver ions release behaviour.

This study aimed to investigate the release of silver ions from the packaging, their diffusion within a food hydrogel and the effect on the growth of Pseudomonas fluorescens. Biosorbed-silver nanoparticles (BSNPs) were synthesized using a plant extract and were incorporated into chitosan or poly (vinyl alcohol) polymer to prepare biocomposite films. The addition of BSNPs improved the physical and antimicrobial properties of the films as shown by tensile strength and inhibition of P. fluorescens in hydrogels, respectively. PVA based BSNPs film showed a stronger antimicrobial effect, compared to chitosan based BSNPs film and this correlated with a higher amount of silver ions release from the PVA film into the hydrogel. Results suggest that the strength of the interaction between BSNPs and the film polymer is the key factor leading to the difference in the release behaviour of the antimicrobials, which in turn determines the antimicrobial activity of the active packaging.

An expeditious and environmentally benign synthesis of dispiro-3-phenylpyrrolothiazoles in ACI/EG eutectic mixture and its antioxidant and antimicrobial activities against urinary tract pathogens.

The present study reveals the robust and facile methodology for the synthesis of massively selective dispiro-3-phenylpyrrolothiazole hybrids via one-pot 1,3-dipolar cycloaddition reaction by environmentally supported solvents and to evaluate their biological activities. The quaternary ammonium salt eutectic mixture, acetylcholine iodide-ethylene glycol (ACI/EG) medium brings an efficient environment for the synthesis of dispiropyrrolothiazole with excellent yield in shorter reaction time than imidazolium ionic liquids. The eutectic mixture was recovered and reused without any significant drop in their catalytic activity. Among the eight synthesized compounds 4a-h, halogen derivatives are exhibiting significant antimicrobial activities against selected uropathogens pathogens. Interestingly, chloro and bromo derivatives exhibits the minimum inhibitory concentration (MIC) of 12.5 µg/ml and 6.25 µg/ml towards Escherichia coli, Klebsiella pneumonia, and Staphylococcus aureus respectively. In addition, the IC50 values of DPPH radicals with synthesized compounds are interesting, particularly compounds 4a, 4d and 4e shows lower than the control BHA indicating their potent scavenging ability of free radicals.

A competent synthesis and efficient anti-inflammatory responses of isatinimino acridinedione moiety via suppression of in vivo NF-κB, COX-2 and iNOS signaling.

A potent Nonsterodial Anti-inflammatory Drug (NSAID) candidates has been conceived and built by an assembly of a hydrophilic, fluorescent and COX-2 inhibiting units in the same molecule. The isatinimino-acridinedione core (TM-7) was achieved in a simple three step synthetic procedure viz (i) a multicomponent reaction between dimedone, aldehyde and amine to furnish the nitroacridinedione (4), (ii) reduction step and (iii) schiff's-base condensation with isatin. The excellent anti-inflammatory pharmacological efficiency of the drug was established by in vivo biological experiments. Accordingly, it was found that the treatment with the synthesized isatinimino analogues (dosage: 30 mg/kg) inhibited protein expression of cyclooxygenase-2 (COX-2), inducible nitric oxide synthase (iNOS), and nuclear factor kappa B (NF-κB) as well as production of prostaglandin E2 (PGE2), nitric oxide (NO), tumor necrosis factor-alpha (TNF-α), interleukin-1beta (IL-1ß), and interleukin-6 (IL-6) levels induced by carrageenan. Further, a comparative molecular modeling analysis of TM-7 carried out with the crystal structure of aspirin acetylated human COX-2 suggested effectively binding and efficient accommodation inside the active site's gorge.

Domino Multicomponent Approach for the Synthesis of Functionalized Spiro-Indeno[1,2-b]quinoxaline Heterocyclic Hybrids and Their Antimicrobial Activity, Synergistic Effect and Molecular Docking Simulation.

An expedient synthesis of hitherto unexplored novel hybrid heterocycles comprising dispiropyrrolidine, N-styrylpiperidone and indeno[1,2-b]quinoxaline units has been developed via domino multicomponent 1,3-dipolar cycloaddition strategy employing a new class of azomethine ylide in ionic liquid, 1-butyl-3-methylimidazolium bromide. This domino protocol involves, 1,3-dipolar cycloaddition and concomitant enamine reaction affording the dispiropyrrolidine tethered N-styrylpiperidone hybrid heterocycles in moderate to good yield in a single step. These compounds were evaluated for their antimicrobial activity against bacterial and fungal pathogens, therein compounds 8f, 8h, and 8l displayed significant activity against tested microbial pathogens. The synergistic effect revealed that the combination of compound 8h with streptomycin and vancomycin exhibited potent synergistic activity against E. coli ATCC 25922. In addition, molecular docking simulation has also been studied for the most active compound.

Glucosamine-6-phosphate synthase inhibiting C3-ß-cholesterol tethered spiro heterocyclic conjugates: Synthesis and their insight of DFT and docking study.

A series of novel covalent cholesterol-spiro pyrrolidine/pyrrolizidine heterocyclic hybrids possessing biologically active oxindole, indanedione, and acenaphthylene-1-one have been synthesized by the reaction of C3-ß-cholesteroalacrylate with heterocyclic di- and tri-ketones. All the sixteen compounds were obtained as a single isomer in good yield through a stereo- and regio- selective 1,3-dipolar cycloaddition methodology. Stereochemistry of the spiranic cycloadducts has been established by spectroscopic analysis and the regioselectivity outcome of the spiro adducts has been accomplished by DFT calculations at B3LYP/6-31G (d,p) level study. In vitro antibacterial activity of the newly synthesized cycloadducts were evaluated against highly pathogenic Gram-positive and Gram-negative bacteria and the most active compounds 5a, 13, and 14 underwent automated in silico molecular docking analysis in order to validate their effective orientation as a inhibitors bound in the active site of glucosamine-6-phosphate synthase (1XFF) enzyme by employing AutoDock Tools.