Natural peptides and their synthetic congeners acting against through the membrane and cell wall: latest progress.

is one of the deadliest Gram-negative bacteria (GNB), responsible for 2-10% of hospital-acquired infections. Several antibiotics are used to control the growth of . However, in recent decades, the abuse and misuse of antibiotics to treat non-microbial diseases have led to the emergence of multidrug-resistant strains.

Exploring the key structural attributes and chemico-biological interactions of pyridinone-based SARS-CoV-2 3CL inhibitors through validated structure-based drug design strategies.

The global outbreak of COVID-19 infection is the first pandemic the world has experienced in this 21 century. The novel coronavirus 2019 (nCoV-19) also called the SARS-CoV-2 is the reason behind the severe acute respiratory syndrome (SARS) that led to this worldwide crisis. In this current post-pandemic situation, despite having effective vaccines, the paucity of orally administrable drug molecules for such infections is a major drawback in this current scenario.

Hydroxyapatite nanoparticle mediated delivery of full length dystrophin gene as a potential therapeutic for the treatment of Duchenne muscular dystrophy.

Duchenne muscular dystrophy (DMD) is a severe genetic disorder characterized by progressive muscle degeneration, primarily affecting young males. In this study, we investigated arginine-modified hydroxyapatite nanoparticles (R-HAp) as a novel non-viral vector for DMD gene therapy, particularly for delivering the large 18.8 kb dystrophin gene.

Fluorescent TICT Probe for Precise Monitoring of Cellular Lipid Droplets.

Lipid droplets (LD) are crucial in pathological processes or conditions associated with abnormal lipid metabolism, such as obesity, diabetes, atherosclerosis, fatty liver diseases, and cancers. Cancer cells frequently contain elevated levels of nonpolar lipid droplets (LDs), serving as energy reserves. The proliferation of LDs, accompanied by an increase in viscosity, is a characteristic feature of cancer cells that prompted us to devise a fluorescent sensor for LD detection at physiological pH.

Pharmacophore modeling, 3D-QSAR, and MD simulation-based overture for the discovery of new potential HDAC1 inhibitors.

Histone deacetylases (HDACs) are important epigenetic regulators that modulate the activity of histone and non-histone proteins leading to various cancers. Histone deacetylase 1 (HDAC1) is a member of class 1 HDAC family related to different cancers. However, the nonselective profile of existing HDAC1 inhibitors restricted their clinical utility.

Correction: Understanding selective sensing of human serum albumin using a D-π-A probe: a photophysical and computational approach.

Correction for 'Understanding selective sensing of human serum albumin using a D-π-A probe: a photophysical and computational approach' by Anamika Bandyopadhyay , , 2024, , 10719-10735, https://doi.org/10.1039/D4TB01229A.

Energetics of Oligosaccharide Adsorption on Ionic Liquid-Clay Composites.

Well-Tempered Metadynamics (WT-MetaD) simulations indicate that composite materials made up of Na-Montmorillonite (Na-MMT) coated with ionic liquids (ILs) having hydrophilic cations serve as good adsorbents for a hexameric (1,4) linked β-D-glucopyranoside (BGLC). Hydrophilic IL cations are effectively coated on the negative charges lining the Na-MMT surface while attracting simultaneously the polar oligosaccharides. In this work we have used two less conventional polyethylene glycol (PEG) based IL cations, [mim peg] and [mim peg], paired with [tfN] and Cl anions.

Phenoxy-1,2-dioxetane-based activatable chemiluminescent probes: tuning of photophysical properties for tracing enzymatic activities in living cells.

The use of chemiluminophores for tracing enzymatic activities in live-cell imaging has gained significant attention, making them valuable tools for diagnostic applications. Among various chemiluminophores, the phenoxy-1,2-dioxetane scaffold exhibits significant structural versatility and its activation is governed by the chemically initiated electron exchange luminescence (CIEEL) mechanism. This mechanism can be initiated by enzymatic activity, changes in pH, or other chemical stimuli.

A wavelet and local binary pattern-based feature descriptor for the detection of chronic infection through thoracic X-ray images.

This investigation attempts to propose a novel Wavelet and Local Binary Pattern-based Xception feature Descriptor (WLBPXD) framework, which uses a deep-learning model for classifying chronic infection amongst other infections. Chronic infection (COVID-19 in this study) is identified via RT-PCR test, which is time-consuming and requires a dedicated laboratory (materials, equipment, etc.) to complete the clinical results.

pH controlled synthesis of end to end linked Au nanorod dimer in an aqueous solution for plasmon enhanced spectroscopic applications.

End-to-end linked nanorod dimer nanogap antennas exhibit superior plasmonic enhancement compared to monomers due to the coupling of localized surface plasmon resonances (LSPR) of individual nanorods. However, controlling the assembly to stop at the dimer stage is challenging. Here, we report a pH-controlled synthesis of Au nanorod dimer nanogap antennas in an aqueous solution using 1,4-dithiothreitol (DTT) as a linker.

Novel dysregulated long non-coding RNAs in the acute kidney injury-to-chronic kidney diseases transition unraveled by transcriptomic analysis.

Acute kidney injury (AKI)-to-chronic kidney disease (CKD) transition involves a complex pathomechanism, including inflammation, apoptosis, and fibrosis where long non-coding RNAs (lncRNAs) play a crucial role in their regulation. However, to date, only a few lncRNAs have been discovered to be involved in the AKI-to-CKD transition. Therefore, this study aims to investigate the dysregulated lncRNAs in the AKI-to-CKD transition in vitro and in vivo.

Innovations in poly(3-hydroxybutyrate-co-3-hydroxyvalerate) and nanocomposites for sustainable food packaging via biochemical biorefinery platforms: A comprehensive review.

The substantial build-up of non-biodegradable plastic waste from packaging sector not only poses severe environmental threats but also hastens the depletion of natural petroleum-based resources. Presently, poly (3-hydroxybutyrate-co-3-hydroxy valerate) (PHBV), received enormous attention as ideal alternatives for such traditional petroleum-derived plastics based on their biocompatibility and superior mechanical properties. However, high cost of such copolymer, due to expensive nature of feedstock, inefficient microbial processes and unfavorable downstream processing strategies restricts its large-scale commercial feasibility in the packaging sector.

Eugenol-Loaded Lipid Nanoparticles-Derived Hydrogels Ameliorate Psoriasis-like Skin Lesions by Lowering Oxidative Stress and Modulating Inflammation.

Psoriasis is a chronic T-cell-mediated autoimmune skin disorder characterized by excessive epidermal thickening, overproliferation of keratinocyte, disruption of epidermal cell differentiation, and increased blood vessel growth in the dermal layer. Despite the common use of corticosteroids in psoriasis treatment, their limited efficacy and numerous side effects pose significant challenges. This research introduces a promising alternative approach by encapsulating eugenol (EU) in soya phosphatidylcholine (SPC) nanoparticles (EUNPs) which showed spherical shape nanoparticles with a hydrodynamic size of approximately 200 nm, polydispersity index 0.

Neuroprotective potential of Epigenetic modulators, its regulation and therapeutic approaches for the management of Parkinson's disease.

The progressive degeneration of dopaminergic neurons in the substantia nigra region of the brain leads to a deficiency of dopamine and, ultimately, the onset of Parkinson's disease (PD). Since there is currently no cure for PD, patients all around the world are dealing with symptomatic management. PD progression is influenced by multiple elements, such as environmental, biological, chemical, genetic, and epigenetic factors.

Identification of novel DNA gyrase inhibitor by combined pharmacophore modeling, QSAR analysis, molecular docking, molecular dynamics, ADMET and DFT approaches.

DNA gyrase, an ATP-dependent enzyme, plays a critical role in DNA replication, transcription, and recombination in Mycobacterium tuberculosis (MTB). While fluoroquinolones are effective antibacterial agents targeting DNA gyrase, their clinical use is often limited due to side effects and the emergence of bacterial resistance. In this study, we developed a quantitative structure-activity relationship (QSAR) model to predict the anti-tubercular activity of Quinoline-Aminopiperidine derivatives targeting the DNA gyrase enzyme, using a dataset of 48 compounds obtained from the literature.

Recognizing the reactive sites of SnFeO for the oxygen evolution reaction: the synergistic effect of Sn and Fe in stabilizing reaction intermediates.

Among the reported spinel ferrites, the p-block metal containing SnFeO is scarcely explored, but it is a promising water-splitting electrocatalyst. This study focuses on the reaction kinetics and atomic scale insight of the reaction mechanism of the oxygen evolution reaction (OER) catalyzed by SnFeO and analogous FeO. The replacement of FeIIOh sites with SnIIOh in SnFeO improves the catalytic efficiency and various intrinsic parameters affecting the reaction kinetics.

Fortification of milk powder with cashew apple juice using maltodextrin as a carrier material: A novel dairy recipe.

Food preservation and fortification pose significant challenges in the fruit and dairy sectors, particularly in developing regions with limited infrastructure and rising production volumes. Cashew apples, rich in antioxidants such as vitamin C and polyphenolic compounds, often go to waste due to their high perishability. In Goa, India, these discarded fruits are used to produce "Feni," an alcoholic beverage, but broader utilization strategies are still needed.

Exploring the synergistic effect of aggregation and hydrogen bonding: a fluorescent probe for dual sensing of phytic acid and uric acid.

We synthesized an unoxidized bis-indolyl methane (BIM) derivative (probe 1) comprising of tetraphenylethylene (TPE) as the signalling moiety. The amphiphilic probe could form self-assembled nanoscopic aggregates in the aqueous medium. The emission of 1 in non-polar solvents originates from the LE state, while in polar solvents, it is dominated by TICT.

Nonlinear viscoelasticity of filamentous fungal biofilms of .

The picture of bacterial biofilms as a colloidal gel composed of rigid bacterial cells protected by extracellular crosslinked polymer matrix has been pivotal in understanding their ability to adapt their microstructure and viscoelasticity to environmental assaults. This work explores if an analogous perspective exists in fungal biofilms with long filamentous cells. To this end, we consider biofilms of the fungus formed on the air-liquid interface, which has shown an ability to remove excess nitrogen and phosphorous from wastewater effectively.

Maximization of Micractinium sp., biomass and use of Dual-Purpose reduced graphene supported vanadium oxide nanoparticles for harvesting and subsequent biodiesel production.

A sustainable media composition comprising of nanourea (NU), groundnut de-oiled cake (GDOC), and seaweed Extract (SE) was formulated using a mixture design for the cultivation of Micractinium sp. Maximum biomass yield and productivity of 5.52 ± 0.

A novel copper(II) complex with a salicylidene carbohydrazide ligand that promotes oxidative stress and apoptosis in triple negative breast cancer cells.

We report the synthesis, characterization, anti-cancer activity and mechanism of action of a novel water-soluble Cu(II) complex with salicylidene carbohydrazide as the ligand and -phenanthroline as the co-ligand. The synthesized complex (1) was characterized by FT-IR, EPR, and electronic spectroscopy, as well as single crystal X-ray diffraction. This compound was found to be paramagnetic from EPR spectra and X-ray crystallography revealed that the molecule crystallized in an orthorhombic crystal system.