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Laccases or benzenediol oxygen oxidoreductases (EC 1.10.3.2) are polyphenol multicopper oxidases that are known for their structural and functional diversity in various life forms. In the present study, the molecular and physico-chemical properties (redox-potential and secondary structures) of fungal laccase isozymes (FLIs) isolated from a medicinal mushroom Ganoderma lucidum were analyzed and compared with those of the recombinant bacterial laccases (rLac) obtained from different Yersinia enterocolitica strains. It was revealed that the FLIs contained His-Cys-His as the most conserved residue in its domain I Cu site, while the fourth and fifth residues were variable (Ile, Leu, or Phe). Evidently, the cyclic voltammetric measurements of Glac L2 at Type 1 Cu site revealed greater E° for ABTS/ABTS+ (0.312 V) and ABTS+/ABTS2+ (0.773 V) compared to the E° of rLac. Furthermore, circular dichroism-based conformational analysis revealed structural stability of the FLIs at acidic pH (3.0) and low temperature (<30 °C), while the isozymes were destabilized at neutral pH (7.0) and high-temperature conditions (>70 °C). The zymographic studies further confirmed the functional inactivation of FLIs at high temperatures (≥70 °C), predominantly due to domain unfolding. These findings provide novel insight into the evolution of the catalytic efficiency and redox properties of the FLIs, contributing to the existing knowledge regarding stress responses, metabolite production, and the biotechnological utilization of metabolites. [ABSTRACT FROM AUTHOR]

Composite hydrogels of Na-Alginate (Na-ALG) and Gelatin (GEL) with conducting polymers (CPs) were synthesised using poly(o -phenylenediamine) (POPD), polyaniline (PANI), poly(1-naphthylamine (PNA) and poly(vinylenedine fluoride) (PVDF). The synthesised hydrogels were characterized using FTIR, scanning electron microscopy (SEM) rheology, swelling ability and in-vitro drug release characteristics. The purpose of this investigation was to determine whether these hydrogels could be used to deliver antibiotics for extended drug release. The composite hydrogels were loaded with antibiotic drug: amoxicillin in three different concentrations and the release was studied at intestinal fluid (pH 7.4) and gastric fluid (pH 1.2). Release kinetics was found to show best fit in zero order models at both pH values and showed prolonged release characteristics. The POPD-Na-ALG/GEL showed highest release at intestinal pH of 7.4, while PVDF-Na-ALG/GEL showed highest release at gastric pH at 1.2. [ABSTRACT FROM AUTHOR]

Pathogenesis related (PR) proteins are defensins expressed upon biotic and abiotic stress by plants. They are also synthesized in specific plant parts such as root, stem, leaves, pollen grains and fruits. According to the current classification, there are 19 different classes of PR-Proteins, 8 out of 19 are proven to exhibit allergic reactions in human. Here, we carried out the allergenicity potential test for the remaining 11 classes of PR-Proteins using in-silico approaches. Our analysis suggests that the other 11 families also have the allergenic potential. We modelled the proteins for which our predictions suggested them to be allergens and for which the crystal structures were not available. We then predicted the B-cell epitope binding regions for all the proteins and used molecular docking approach to study the allergen-antibody interaction. Our findings suggest that all the selected proteins (belonging to 11 families of PR) analysed, can potentially be classified as allergens. We also provide evidence that the number of IgE binding-residues in the allergens is correlated with their respective binding energies with the IgE molecule. This study will be highly relevant to understand the allergenic potential of PR-Proteins to make an informed decision about the consumption of food with high degree of PR-expression. • Out of 19 classes of pathogenesis-related (PR) proteins, eight are recognized potent allergens. • Using in silico approaches, we tested and confirmed that other eleven families of PR-proteins are also potential allergen. • This analysis will aid in identification of allergenicity caused due to PR-Proteins and to avoid clinical complications. [ABSTRACT FROM AUTHOR]

Rapid increase in use of fungicides for the agricultural and industrial purposes has marked the deterioration of water resources which ultimately affects the human life. Accordingly, various attempts have been made in the removal of these noxious compounds. In the same context, we are presenting biopolymers based nanohydrogel sheets; guar gum- crosslinked -Soya lecithin nanohydrogel sheets (GG- crosslinked -SY NHS) used for the effective removal of a fungicide; thiophanate methyl from aqueous solution. Guar gum and soya lecithin were employed as the biopolymers in the fabrication of nanohydrogel sheets due to their non- toxic nature, easy availability, cheapness and significant properties. Due to the presence of highly reactive functional groups onto the surface of GG- crosslinked -SY NHS, good adsorption results have been obtained. Maximum adsorption capacity of 59.205 mg/g was observed with 20 mg GG- crosslinked -SY NHS and 25 ppm thiophanate methyl solution concentration as calculated from the Langmuir isotherm. Results showed that neutral pH favoured the adsorption process. Kinetics results were indicative of the physical interactions between the thiophanate methyl and GG- crosslinked -SY NHS surface. Thermodynamic results have shown the spontaneous and endothermic adsorption process. [ABSTRACT FROM AUTHOR]

Glutamate receptors like channels (GLRs) are ligand gated non-selective cation channels and are multigenic in nature. They are homologs of mammalian ionic glutamate receptors (iGLRs) that play an important role in neurotransmission. It has been more than 25 years of discovery of plant GLRs, since then, significant progress has been made to unravel their structure and function in plants. Recently, the first crystal structure of plant GLR has been resolved that suggests that, though, plant GLRs contain the conserved signature domains of iGLRs, their unique features enable agonist/antagonist-dependent change in their activity. GLRs exhibit diverse subcellular localization and undergo dynamic expression variation in response to developmental and environmental stress conditions in plants. The combined use of genetic, electrophysiology and calcium imaging using different genetically encoded calcium indicators has revealed that GLRs are involved in generating calcium (Ca2+) influx across the plasma membrane and are involved in shaping the Ca2+ signature in response to different developmental and environmental stimuli. These findings indicate that GLRs influence cytosolic Ca2+ dynamics, thus, highlighting "GLR-Ca2+-crosstalk (GCC)" in developmental and stress-responsive signaling pathways. With this background, the present review summarises the recent developments pertaining to GLR function, in the broader context of regulation of stress tolerance in plants. [Display omitted] • Glutamate-like receptors (GLR) exhibit ligand-gated ion channel activity. • GLRs exhibit diverse subcellular localization. • GLRs affect cytosolic Ca2+ levels indicating their role in signaling pathways. • GLRs regulate physiological, developmental and stress-related functions in plants. [ABSTRACT FROM AUTHOR]

In this research work we report Gum-ghatti supported ZnSe-WO 3 nano-hetero-assembly for solar powered degradation of endocrine disruptor Bisphenol S (BPA). The photocatalyst was characterized by Scanning electron microscopy (SEM), High resolution transmission electron microscopy (HRTEM), Small area electron diffraction (SAED), X-Ray diffraction (XRD), Fourier transform infra red spectroscopy (FTIR), Photoluminescence (PL), Energy dispersive X-ray (EDX), UV–vis spectrophotometry and Brauner Emmet Teller surface area analyzer (BET). We achieve a Z-scheme photocatalyst (ZnSe-WO 3 ) with a higher charge flow and visible absorption. Gum ghatti acts as a superadsorbent and a sink for charge carriers. The removal of BPA has been studied under three experimental protocols where 99.5% removal was achieved by symbiose of photocatalysis-adsorption-ozonation in just 45 min hetero-assembly has a high surface area, stability and reduced carrier recombination. The results have been analyzed by scavenger effect, mass spectrometry, kinetics and total organic carbon (TOC) analysis. 49.4% of TOC was removed and COD was reduced to 16.7% after 2 h in symbiotic condition. From the band edges and scavenger effect it was inferred that superoxide radical anions are major attacking species. The work paves way for designing of novel photocatalysts with increasing biogenic quotient and higher efficiency. [ABSTRACT FROM AUTHOR]

Akt, a serine/threonine protein kinase, is often hyper activated in breast and prostate cancers, but with poor prognosis. Allosteric inhibitors regulate aberrant kinase activity by stabilizing the protein in inactive conformation. Several natural compounds have been reported as inhibitors for kinases. In this study, to identify potential natural allosteric inhibitor for Akt1, we generated a seven-point pharmacophore model and screened it through natural compound library. Quercetin-7- O -β- d -glucopyranoside or Q7G was found to be the best among selected molecules based on its hydrogen bond occupancy with key allosteric residues, persistent polar contacts and salt bridges that stabilize Akt1 in inactive conformation and minimum binding free energy during molecular dynamics simulation. Q7G induced dose-dependent inhibition of breast cancer cells (MDA MB-231) and arrested them in G1 and sub-G phase. This was associated with down-regulation of anti-apoptotic protein Bcl-2, up-regulation of cleaved caspase-3 and PARP. Expression of p-Akt (Ser473) was also down-regulated which might be due to Akt1 inhibition in inactive conformation. We further confirmed the Akt1 and Q7G interaction which was observed to have a dissociation constant (K d ) of 0.246 μM. With these computational, biological and thermodynamic studies, we suggest Q7G as a lead molecule and propose for its further optimization. [ABSTRACT FROM AUTHOR]

An environmentally friendly non-woven nanotextile has been prepared using enantiomeric pairs of poly (lactic acid) PLA by electrospinning technique. Solution blending of synthesized high molecular weight (⁓105 Da) poly (L-lactic acid) PLLA and poly (D-lactic acid), PDLA for prolonged time stirring produce solely stereocrystallites (sc). The high crosslinking effect of sc-PLA has played an important role, with multifunctional behaviour on the addition of anatase-TiO 2 (a-TiO 2) in three different ways (Case-I-III). The high crystallinity of a-TiO 2 (~7.14 nm), has been confirmed from XRD and TEM studies as 98 %. The nanofinish as studied in (Case -III) by dipping and drying has decreased the water contact angle for the electrospun sc-PLA nanotextile from highly hydrophobic (132°) to superhydrophilicity after 8 min. An easy demonstration of high temperature treated nanofabric (at 100 °C) has proven to obtain an anti-shrinkage sc-PLA nanofabric. Even, the presence of a-TiO 2 has improved the colour strength ability of sc-PLA as a dark dyed nanofabric. The loading of as-synthesized a-TiO 2 nanoparticle has enhanced adsorbent dosages for 5T dip scPLA up to 1.44 mg/g of MB dosage, at contact time (8 h), and 68 % methylene blue (MB) removal efficiency under UV irradiation. Thereby, this a-TiO 2 impregnated sc-PLA nanofabric tends to dye removal. • Non-woven superhydrophilic fabric with the nanofibrous architect was prepared. • Sc-PLA embedded TiO 2 nanoparticles helped in achieving multifunctional nanofabric. • Stereocomplexation in PLA inhibited shrinkage at elevated temperature. • Sc-PLA/TiO 2 had great potential to facilitate dye adsorption capacity. • Nanofabric demonstrated self-cleaning and facilitated contaminants removal. [ABSTRACT FROM AUTHOR]

Durum wheat, less immunogenically intolerant than bread wheat, originates from diploid progenitors known for nutritional quality and stress tolerance. Present study involves the analysis of major grain parameters, viz. size, weight, sugar, starch, and protein content of Triticum durum (AABB genome) and its diploid progenitors, Triticum monococcum (AA genome) and Aegilops speltoides (BB genome). Samples were collected during 2–5 weeks after anthesis (WAA), and at maturity. The investigation revealed that T. durum displayed the maximum grain size and weight. Expression analysis of Grain Weight 2 (GW2) and Glutamine Synthase (GS2), negative and positive regulators of grain weight and size, respectively, revealed higher GW2 expression in Ae. speltoides and higher GS2 expression in T. durum. Further we explored total starch, sugar and protein content, observing higher levels of starch and sugar in durum wheat while AA genome species exhibited higher protein content dominated by the fractions of albumin/globulin. HPLC profiling revealed unique sub-fractions in all three genome species. Additionally, a comparative transcriptome analysis also corroborated with the starch and protein content in the grains. This study provides valuable insights into the genetic and biochemical distinctions among durum wheat and its diploid progenitors, offering a foundation for their nutritional composition. [ABSTRACT FROM AUTHOR]

Pectin-crosslinked gum ghatti hydrogel (PGH) has been synthesized utilizing pectin and gum ghatti through an uncomplicated and inexpensive copolymerization method. X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM-elemental mapping), Brunauer-Emmett-Teller (BET), and X-ray photoelectron spectroscopy (XPS) characterization techniques have been employed to determine various structural, chemical and compositional characteristics of fabricated PGH. Three different weight ratios (1:1, 2:1, or 1:2 for pectin and gum ghatti, respectively) were employed to synthesize three distinct types of PGH. Swelling studies has been done to determine the best ratios for PGH fabrication. PGH has been assessed as an adsorbent for the removal of malachite green dye from aqueous solutions. The effects of PGH dosage (100–400 mg/L), dye concentration (10–160 mg/L), pH (2–9 pH), adsorption time (0–480 min), and temperature (25–55 °C) has been examined through batch solutions. According to Langmuir isotherm analysis, the maximum adsorption capacity is 658.1 mg/g. By using pseudo-second-order kinetics and the Freundlich adsorption isotherm, the adsorption process could be well explained. After five consecutive cycles, PGH had an adsorption percentage of 86.917 % for the malachite green dye. It is safe for the environment and may be used to remove malachite green (MG) dye from aqueous solutions. [Display omitted] • Pectin-crosslinked gum ghatti hydrogel (PGH) synthesis using copolymerization • Study of physicochemical properties of PGH • PGH effectively adsorbed malachite green (MG) dye. • Showing a maximum capacity of 658.1 mg/g according to Langmuir isotherm analysis • Freundlich isotherm model fits well, indicating a heterogeneous adsorption process. [ABSTRACT FROM AUTHOR]

This new investigation deals with the synthesis of an organic-inorganic nanohybrid using SNC with magnificent flower bud-shaped ZnO, termed SNC-ZnO by precipitation method. The nanohybrid (with concentrations 1 wt%, 3 wt%, and 5 wt%) was in situ incorporated into the PLA matrix to prepare the electrospun solution. The functionalized PLA composite nanofibres produced by electrospinning with SNC-ZnO nanohybrid were systematically studied using different structural and morphological analyses to meet the challenging processing requirements. The FESEM analysis gives an average diameter of nanofibres 246 ± 10.2 nm where nanohybrid tends to adhere on the surface of the PLA nanofabric increasing hydrophobicity up to water contact angle 135.3 ± 0.25 °C with 5 wt% nanohybrid incorporation. The nanofabric has significant antibacterial activity against E.Coli and S.Aureus bacteria. Further, an extensive study has been made on thermally stipulated processes using DSC on non-isothermal crystallization kinetics using different models: Avrami, Ozawa, Mo, and Tobin. The results revealed sites for heterogeneous nucleation and improvement in crystallinity, t 1/2 , and nucleation effects due to the incorporation of crystalline nanohybrid in PLA nanofibres. Further, the Avrami plot has confirmed both primary and secondary crystallization processes thereby considering its potential to utilize functionalized PLA nanofabric for applications in protective textile. [Display omitted] [ABSTRACT FROM AUTHOR]

This new investigation deals with the synthesis of an organic-inorganic nanohybrid using SNC with magnificent flower bud-shaped ZnO, termed SNC-ZnO by precipitation method. The nanohybrid (with concentrations 1 wt%, 3 wt%, and 5 wt%) was in situ incorporated into the PLA matrix to prepare the electrospun solution. The functionalized PLA composite nanofibres produced by electrospinning with SNC-ZnO nanohybrid were systematically studied using different structural and morphological analyses to meet the challenging processing requirements. The FESEM analysis gives an average diameter of nanofibres 246 ± 10.2 nm where nanohybrid tends to adhere on the surface of the PLA nanofabric increasing hydrophobicity up to water contact angle 135.3 ± 0.25 °C with 5 wt% nanohybrid incorporation. The nanofabric has significant antibacterial activity against E.Coli and S.Aureus bacteria. Further, an extensive study has been made on thermally stipulated processes using DSC on non-isothermal crystallization kinetics using different models: Avrami, Ozawa, Mo, and Tobin. The results revealed sites for heterogeneous nucleation and improvement in crystallinity, t 1/2 , and nucleation effects due to the incorporation of crystalline nanohybrid in PLA nanofibres. Further, the Avrami plot has confirmed both primary and secondary crystallization processes thereby considering its potential to utilize functionalized PLA nanofabric for applications in protective textile. [Display omitted] [ABSTRACT FROM AUTHOR]

Pectin based quaternary amino anion exchanger (Pc-QAE) was prepared using simple crosslinking polymerization method. This anion exchanger was characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR). Pc-QAE was applied for the removal of phosphate anion from the aqueous solution. The adsorption process which was pH dependent showed maximum adsorption of phosphate anions at pH 7. Pc-QAE showed good monolayer adsorption capacity for phosphate anions which demonstrated its good capability towards Langmuir isotherm model. Moreover, the adsorption was evaluated thermodynamically and the negative value of Gibbs free energy (−1.791 KJ/mol) revealed the spontaneity of adsorption process. The value of ΔH° and ΔS° were found to be 15.28 and 49.48 KJ/mol, respectively representing the endothermic nature and enhancement in degree of freedom due to the adsorption process. [ABSTRACT FROM AUTHOR]

Acinetobacter baumannii is a notorious pathogen that commonly thrives in hospital environments and is responsible for numerous nosocomial infections in humans. The burgeoning multi-drug resistance leaves relatively minimal options for treating the bacterial infection, posing a significant problem and prompting the identification of new approaches for tackling the same. This motivated us to focus on non-canonical nucleic acid structures, mainly G-quadruplexes, as drug targets. G-quadruplexes have recently been gaining attention due to their involvement in multiple bacterial and viral pathogenesis. Herein, we sought to explore conserved putative G-quadruplex motifs in A. baumannii. In silico analysis revealed the presence of eight conserved motifs in genes involved in bacterial survival and pathogenesis. The biophysical and biomolecular analysis confirmed stable G-quadruplex formation by the motifs and showed a high binding affinity with the well-reported G-quadruplex binding ligand, BRACO-19. BRACO-19 exposure also decreased the growth of bacteria and downregulated the expression of G-quadruplex-harboring genes. The biofilm-forming ability of the bacteria was also affected by BRACO-19 addition. Taking all these observations into account, we have shown here for the first time the potential of G-quadruplex structures as a promising drug target in Acinetobacter baumannii , for addressing the challenges posed by this infamous pathogen. [ABSTRACT FROM AUTHOR]

Heart failure (HF) is emerging as a leading cause of death worldwide. Estimation of BNP levels is a routine diagnosis in these patients. However, in patients having high body-mass index (BMI), renal disease or in geriatric patients, BNP level is reported to be noisy and leads to incongruous conclusion. Thus, for better risk stratification among heart failure patients, it is imperative to look for a superior biomarker. In recent times, sST2 has shown promise as a biomarker. Identifying such biomarkers in peripheral blood of HF patients, need an affine and selective molecular recognition element. Thus, in the current study an aptamer (sS9_P) against sST2 was identified from an aptamer library. Systematic Evolution of Ligands through Exponential enrichment (SELEX) derived aptamer evinced role of its primer binding domains in maintaining its selectivity. This aptamer candidate demonstrated dissociation constant (Kd) in low nanomolar range, and the Limit of Detection (LOD) was ~4 ng. Circular dichroism confirms the formation of complex stem-loop like structure. The well characterized sS9_P aptamer was used in an Aptamer Linked Immobilized Sorbent Assay (ALISA) to detect sST2 level in patients' serum (n = 99). Aptamer sS9_P has shown significant discrimination to differentiate HF patients and healthy volunteers with a reasonable specificity (~83 %) with a modest sensitivity of ~64 %. While sST-2 antibody has shown poor specificity of ~44% but good sensitivity (~87%). The insight obtained from this study indicates that a combination of aptamer and antibody-based assay can be used to design a point-of-care assay for the rapid detection of HF patients in emergency settings. [ABSTRACT FROM AUTHOR]

In this study, we have investigated a series of hydroxylated 2-phenylbenzofurans compounds for their inhibitory activity against α -amylase and α -glucosidase activity. Inhibitors of carbohydrate degrading enzymes seem to have an important role as antidiabetic drugs. Diabetes mellitus is a wide-spread metabolic disease characterized by elevated levels of blood glucose. The most common is type 2 diabetes, which can lead to severe complications. Since the aggregates of islet amyloid polypeptide (IAPP) are common in diabetic patients, the effect of compounds to inhibit amyloid fibril formation was also determined. All the compounds assayed showed to be more active against α -glucosidase. Compound 16 showed the lowest IC 50 value of the series, and it is found to be 167 times more active than acarbose, the reference compound. The enzymatic activity assays showed that compound 16 acts as a mixed-type inhibitor of α -glucosidase. Furthermore, compound 16 displayed effective inhibition of IAPP aggregation and it manifested no significant cytotoxicity. To predict the binding of compound 16 to IAPP and α -glucosidase protein complexes, molecular docking studies were performed. Altogether, our results support that the 2-phenylbenzofuran derivatives could represent a promising candidate for developing molecules able to modulate multiple targets involved in diabetes mellitus disorder. Unlabelled Image • Hydroxylated 2-phenylbenzofurans inhibit α -glucosidase. • Compound 16 is 167 times more active than reference compound against α -glucosidase. • Number and position of hydroxyl substitution in enzyme activity were highlighted. • Compound 16 inhibits islet amyloid polypeptide formation. • Physicochemical properties and molecular docking of compound 16 were determined. [ABSTRACT FROM AUTHOR]

The major drawback associated with petroleum-based polymer products is pollution, leading to environmental hazards. Biodegradable polymers and biocomposites have the potential to play a major role in replacing the conventional polymers in specific applications on a case to case basis. In the current study, sawdust reinforced polylactic acid/polycaprolactone (PLA/PCL) biocomposites were developed using the melt extrusion technique. Primary processed fine sawdust was reinforced with PLA/PCL blend in a mini twin screw extruder in different weight fractions (10 %, 20 %, 30 %, and 40 %). The developed biocomposites were subjected to tensile testing, which indicated that the increased weight percent of sawdust reduced the tensile strength. The materials were further characterized, using sophisticated analytical such as field emission scanning electron microscopy, differential scanning calorimetry and thermogravimetry analysis. The composite containing 30 % sawdust concentration presented the best results with tensile strength of 26.5 MPa, tensile strain of 4.4 % and onset degradation temperature of 320 °C. The same formulation was successfully scaled up to the pilot level of 5 kg batch. It was further subjected to secondary processing to produce market ready cutlery items. Biodegradability studies in simulated composting environments revealed that addition of sawdust drastically reduces the lag phase in degradation and total degradation may be obtained in approximately 90 days. Based on the investigation, there is optimism that the PLA/PCL composites, blended with sawdust may ensure commercial application of sustainable polymer blends at affordable prices. • Optimized formulation of PLA/PCL/sawdust induced greater thermal stability • The biocomposite was processed at pilot scale to produce consumer ready food trays • Compostability of the biocomposite was significantly higher than pristine PLA [ABSTRACT FROM AUTHOR]

Overproduction of uric acid in the body leads to hyperuricemia, which is also closely related to gout. Uric acid production can be lowered by xanthine oxidase (XO) inhibitors. Inhibition of XO has also been proposed as a mechanism for improving cardiovascular health. Therefore, the search for new efficient XO inhibitors is an interesting topic in drug discovery. 3-Phenylcoumarins and 2-phenylbenzofurans are privileged scaffolds in medicinal chemistry. Their structural similarity makes them interesting molecules for a comparative study. Methoxy and nitro substituents were introduced in both scaffolds. The current study gives some insights into the synthesis and biological activity of these molecules against this important target. For the best compound of the series, the 3-(4-methoxyphenyl)-6-nitrocoumarin (4), the IC 50 value, type of inhibition, cytotoxicity on B16F10 cells and ADME theoretical properties, were determined. Docking studies were also performed in order to better understand the interactions of this molecule with the XO binding pocket. This work is a preliminary screening for further design and synthesis of new non-purinergic derivatives as potential compounds involved in the inflammatory suppression, specially related to gout. Unlabelled Image [ABSTRACT FROM AUTHOR]

Inspired from biological motors, cellulose nanocrystals (CNCs) are strategically modified to induce self-propulsion behavior with the capabilities to catalytically degrade pollutants along with magnetic hyperthermia to clean arterial plaques during its course of propulsion. CNCs derived from renewable biomass, are decorated with catalytically active, magneto-responsive nanomaterials (Fe 2 O 3 /Pd nanoparticles) through sustainable routes. CNC nanomotors show improved propulsion at lowered peroxide concentrations with remotely controlled trajectory through chemo-magnetic field gradients and ideal surface-wettability characteristics, overcoming the requirement of surfactants, as with traditional nanomotors. We observed that nanomotors undergo motion through heterogeneous bubble propulsion mechanism, with capability to in situ degrade pollutants and generate local heat through hyperthermia, enhancing the rate of degradation process in real time. As proof of concept, we demonstrate that the dynamics of nanomotors can be controlled in a microfluidic channel through site-directed magnetic field and induction of pH gradient, mimicking the chemotaxis in cell-like environment and as swarm of nano-surgeons removes plaques from clogged arteries. Our study shows that strategic modification of CNCs results in fabrication of nanomotors with efficient propulsion system infused with multi-functional characteristics of high catalytic activity and magnetic hyperthermia which opens up new avenues for utilization of bio-based nanomotors derived from lignocellulose for myriad applications. [Display omitted] • CNCs are decorated with catalytically active and magneto-responsive nanomaterials. • CNCs are strategically modified to induce self-propulsion behavior. • CNC nanomotors degrades pollutants and cleans arterial plaques during propulsion. [ABSTRACT FROM AUTHOR]

CD44 is one of the key cancer stem-like cell (CSC) marker and may have a potential role in tumorigenesis. In this study, we investigated the role of CD44 in prognosis of HNSCC patients, its possible crosstalk with Wnt/β-catenin signaling and modulating cisplatin resistance. We observed increased expression of CD44 in the cut margin of recurrent HNSCC patients were associated with poor prognosis. We observed that inhibition of CD44 by using 1,2,3,4 tetrahydroisoquinoline (THIQ) modulates the expression of Wnt/ β-catenin signaling proteins and further silencing of β-catenin also decreases the expression of CD44. This led us to investigate the possible protein-protein interaction between CD44 and β-catenin. Co-immunoprecipitation study illustrated possible interaction between CD44 and β-catenin which was further confirmed by molecular docking and molecular dynamic (MD) simulation studies. Molecular docking study revealed that one interface amino acid residue Glu642 of β -catenin interacts with Lys92 of CD44 which was also present for 20% of simulation time. Furthermore, we observed that inhibition of CD44 chemosensitizes cisplatin-resistant HNSCC cells towards cisplatin. In conclusion, this study investigated the possible role of CD44 along with Wnt/ β-catenin signaling and their possible therapeutic role to abrogate cisplatin resistance. [ABSTRACT FROM AUTHOR]

M1 metallopeptidases regulate many important biological processes such as angiogenesis, tumour growth, hormone regulation, and immune cell development. Knowledge of substrate specificity mechanism in this family is valuable. An M1 peptidase from Deinococcus radiodurans (M1dr) with preference for bulky hydrophobic residues at N-terminus of peptide substrates was recently reported. In contrast to Escherichia coli aminopeptidase N, a previously characterized M1 peptidase, M1dr exhibits reduced activity towards peptides with N-terminal Arg or Ala residue. In order to illuminate structural basis of substrate specificity, we report several crystal structures of M1dr with different amino acids bound to the active site. Structural analysis indicated that the enzyme makes subtle adjustments to multiple residues leading to significant volume change of the active site cavity to accommodate residues of varying sizes (Leu to Trp). This study further reveals that the low preference for Arg at N-terminus of peptide substrate arises from a non-productive conformation in which many of the Arg molecules bind where they block the proton donor essential for the peptidase reaction. Hence, this study illuminates the substrate-binding mechanism and also reveals the structural basis for the substrate specificity of M1dr enzyme. [ABSTRACT FROM AUTHOR]

The function and regulation of thrombin is a complex as well as an intriguing aspect of evolution and has captured the interest of many investigators over the years. The reported substrates of thrombin are coagulation factors V, VIII, XI, XIII, protein C and fibrinogen. However, these may not be all the substrate of thrombin and therefore its functional role(s), may not have been completely comprehended. The purpose of our study was to identify hitherto unreported substrates of thrombin from human plasma using a N-terminomics protease substrate identification method. We identified 54 putative substrates of thrombin of which 12 are already known and 42 are being reported for the first time. Amongst the proteins identified, recombinant siglec-6 and purified serum alpha-1-acid glycoprotein were validated by cleavage with thrombin. We have discussed the probable relevance of siglec-6 cleavage by thrombin in human placenta mostly because an upregulation in the expression of siglec-6 and thrombin has been reported in the placenta of preeclampsia patients. We also speculate the role of alpha-1-acid glycoprotein cleavage by thrombin in the acute phase as alpha-1-acid glycoprotein is known to be an inhibitor of platelet aggregation whereas thrombin is known to trigger platelet aggregation. [ABSTRACT FROM AUTHOR]

Highly mutated SARS-CoV-2 is known aetiological factor for COVID-19. Here, we have demonstrated that the receptor binding domain (RBD) of the spike protein can interact with human dipeptidyl peptidase 4 (DPP4) to facilitate virus entry, in addition to the usual route of ACE2-RBD binding. Significant number of residues of RBD makes hydrogen bonds and hydrophobic interactions with α/β-hydrolase domain of DPP4. With this observation, we created a strategy to combat COVID-19 by circumventing the catalytic activity of DPP4 using its inhibitors. Sitagliptin, linagliptin or in combination disavowed RBD to establish a heterodimer complex with both DPP4 and ACE2 which is requisite strategy for virus entry into the cells. Both gliptins not only impede DPP4 activity, but also prevent ACE2-RBD interaction, crucial for virus growth. Sitagliptin, and linagliptin alone or in combination have avidity to impede the growth of pan-SARS-CoV-2 variants including original SARS-CoV-2, alpha, beta, delta, and kappa in a dose dependent manner. However, these drugs were unable to alter enzymatic activity of PLpro and Mpro. We conclude that viruses hijack DPP4 for cell invasion via RBD binding. Impeding RBD interaction with both DPP4 and ACE2 selectively by sitagliptin and linagliptin is an potential strategy for efficiently preventing viral replication. Pleotropic efficacy of sitagliptin, and linagliptin to impede pan-variants of SARS-CoV-2 infections. Strategy I: Establishing RBD of pan-variants of SARS-CoV-2 can interact with DPP4 in addition to ACE2 for the viral entry. Strategy II: Sitagliptin, and linagliptin, alone or in combination can suppress the growth of SARS-CoV-2 variants including most common VOCs like original SARS-CoV-2, alpha, beta, delta and kappa clade by impeding the DPP4 and RBD interaction. Strategy III: Both sitagliptin and linagliptin exhibit pleotropic effects as a result of gliptins' capacity to target ACE2-RBD interaction. [Display omitted] [ABSTRACT FROM AUTHOR]

Abstract Xanthine oxidase (XO) is an interesting target for the synergic treatment of several diseases. Coumarin scaffold plays an important role in the design of efficient and potent inhibitors. In the current work, twenty 3-arylcoumarins and eight 3-heteroarylcoumarins were evaluated for their ability to inhibit XO. Among all the candidates, 5,7-dihydroxy-3-(3′-hydroxyphenyl)coumarin (compound 20) proved to be the best inhibitor with an IC 50 of 2.13 μM, being 7-fold better than the reference compound, allopurinol (IC 50 = 14.75 μM). To deeply understand the potential of this compound, the inhibition mode was also evaluated. Compound 20 showed an uncompetitive profile of inhibition. Molecular docking studies were carried out to analyze the interaction of compound 20 with the studied enzyme. The binding mode involving residues different from the catalytic site of the binding pocket, is compatible to the observed uncompetitive inhibition. Compound 20 was not cytotoxic at its IC 50 value, as demonstrated by the viability of 99.1% in 3 T3 cells. Furthermore, pharmacokinetics and physicochemical properties were also calculated, which corroborated with the potential of the studied compounds as promising XO inhibitors. [ABSTRACT FROM AUTHOR]

The burning of plastic trash contributes significantly to the problem of air pollution. Consequently, a wide variety of toxic gases get released into the atmosphere. It is of the utmost importance to develop biodegradable polymers that retain the same characteristics as those obtained from petroleum. In order to decrease the effect that these issues have on the world around us, we need to focus our attention on specific alternative sources capable of biodegrading in their natural environments. Biodegradable polymers have garnered much attention since they can break down through the processes carried out by living creatures. Biopolymers' applications are growing due to their non-toxic nature, biodegradability, biocompatibility, and environmental friendliness. In this regard, we examined numerous methods used to manufacture biopolymers and the critical components from which they get their functional properties. In recent years, economic and environmental concerns have reached a tipping point, increasing production based on sustainable biomaterials. This paper examines plant-based biopolymers as a good resource with potential applications in both biological and non-biological sectors. Scientists have devised various biopolymer synthesis and functionalization techniques to maximize its utility in various applications. In conclusion, recent developments in the functionalization of biopolymers through various plant products and their applications are discussed. [ABSTRACT FROM AUTHOR]

In this study, chitosan- crosslinked -poly (alginic acid) nanohydrogel ( CN-cl-PL(AA) NHG) was synthesized by co-polymerization method. It was used an effective adsorbent for the exclusion of Cr(VI) metal ion from aqueous medium. The synthesized nanohydrogel was characterized by FTIR, SEM and TEM. The TEM images clearly indicated the appearance of smooth surface with average size of particles ranging from 30 to 80 nm. The effect of different adsorption parameters like agitation time, temperature, initial metal ion concentration and adsorbent dosage was studied and optimized. The results demonstrated that the prepared chitosan- crosslinked -poly (alginic acid) nanohydrogel had high adsorption tendency for the removal of Cr(VI) from the aqueous solution. The pseudo-second-order equation represented the better adsorption kinetics for the adsorption process. The thermodynamic studies showed the adsorption of Cr(VI) onto CN-cl-PL(AA) NHG was spontaneous and chemical in nature. [ABSTRACT FROM AUTHOR]