Medicinal chemistry-based perspectives on thiophene and its derivatives: exploring structural insights to discover plausible druggable leads.

Thiophene is a privileged pharmacophore in medicinal chemistry owing to its diversified biological attributes. The thiophene moiety has been ranked 4th in the US FDA drug approval of small drug molecules, with around 7 drug approvals over the last decade. The present review covers USFDA-approved drugs possessing a thiophene ring system.

Can selenenyl sulfides be a substrate of glutathione reductase enzyme? A theoretical insight.

Glutathione reductase (GR) catalyzes the reduction of glutathione disulfide (GSSG) to glutathione. As selenium is a congener of sulfur, the possibility of reducing selenenyl sulfide (RSeSG) at the catalytic site of GR has been investigated using density functional theory. Calculations on the redox potential and the Se-S bond strength of some studied RSeSG compounds with a phenyl selenide backbone suggested that the unsubstituted and amine-based selenenyl sulfide intermediates could have a promising tendency to be reduced at the catalytic site of GR.

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.

Triphenylamine-Based Push-Pull Dyes for Chromogenic Detection of HSO Ion in Water: The Role of Anion in the Formation of Fluorescent Organic Nanoparticles.

Optical detection of the HSO ion in pure aqueous medium is rare, owing to the very high Gibbs free energy of hydration and ambiguity to distinguish with the isostructural HPO ion. Herein, a pair of triphenylamine-based push-pull dyes with different numbers of terminal pyridine fragments, connected via an acetylenic linker, were synthesized by Sonogashira cross-coupling reaction. These two dyes displayed highly selective (LOD = 15.

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.

Optimization of sandstone processing waste, electric arc furnace slag, and fly ash-based ternary blended eco-friendly geopolymers.

Over the years, ordinary Portland cement (OPC) has been used to meet growing demands of land and housing facilities arising out of population overburdens. It is well documented that OPCs, besides their outstanding qualities as building materials, are also significant contributors to global greenhouse gases (GHG). Consequently, recent years have noticed an emerging interest in the search for alternatives to Portland cement-based binders.

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.

Ruthenium(II)-Catalyzed C-H/C-H (4+2) Annulation of 2-Aryl-N-heterocycles with Vinylene Carbonate.

A ruthenium(II)-catalyzed direct C-H/C-H (4+2) annulation of 2-aryl-N-heterocycles such as 2-aryl-4H-pyrido[1,2-a]pyrimidin-4-ones, 2-arylimidazo[1,2-a]pyridines, 2-aryl-2H-indazoles and 2-arylquinolin-4(1H)-ones with vinylene carbonate has been described. This one-pot cascade strategy provided the diversely substituted fused-polyheterocycles such as 7H-benzo[h]pyrido[2,1-b]quinazolin-7-ones, naphtho[1',2':4,5]imidazo[1,2-a]pyridines, indazolo[2,3-a]quinolines and benzo[c]acridin-7(12H)-ones in moderate to excellent yields. The developed protocol exhibited a broad substrate scope with good functional group tolerance and acid/base-free conditions.

siRNA-based nanotherapeutic approaches for targeted delivery in rheumatoid arthritis.

Rheumatoid arthritis (RA), characterized as a systemic autoimmune ailment, predominantly results in substantial joint and tissue damage, affecting millions of individuals globally. Modern treatment modalities are being explored as the traditional RA therapy with non-specific immunosuppressive drugs showcased potential side effects and variable responses. Research potential with small interfering RNA (siRNA) depicted potential in the treatment of RA.

Biotinylated platinum(IV)-conjugated graphene oxide nanoparticles for targeted chemo-photothermal combination therapy in breast cancer.

Graphene oxide (GO) and GO-based nanocomposites are promising in drug delivery and photothermal therapy due to their exceptional near-infrared optical absorption and high specific surface area. In this study, we have effectively conjugated an oxaliplatin (IV) prodrug, PEGylated graphene oxide, and PEGylated biotin (PB) in a single platform for breast cancer treatment. This platform demonstrates promising prospects for targeted drug delivery and the synergistic application of photothermal-chemotherapy when exposed to NIR-laser irradiation.

Biogenic Nanoparticles as Safer Alternatives for Gastric Ulcers: An Update on Green Synthesis Methods, Toxicity, and Their Efficacy in Controlling Inflammation.

Peptic ulcers, affecting approximately 10% of the global population, can result from factors such as stress, alcohol use, smoking, NSAIDs, Helicobacter pylori infection, and genetic predisposition. Plant-based medicines are gaining recognition for their therapeutic potential, including in the treatment of peptic ulcers. Green chemistry methods for the biological synthesis of nanoparticles (NPs) provide a sustainable alternative to traditional chemical techniques.

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.

New epigenome players in the regulation of PCSK9-H3K4me3 and H3K9ac alterations by statin in hypercholesterolemia.

Statins are the most effective drugs used worldwide to lower the serum LDL-C by inhibiting the rate-limiting step, HMG-CoA reductase, in cholesterol biosynthesis. Despite its prevalent use, statins are known to increase proprotein convertase subtilisin/kexin type 9 (PCSK9) expression, hindering its efficiency. However, the underlying mechanisms remain elusive.

Industrialization meets sustainability: Analysing the role of technological innovations, energy efficiency and urbanisation for major industrialized economies.

Considering how crucial environmental quality is to development, production often takes precedence over the development process when certain macroeconomic policies are being implemented. This phenomenon has been the subject of several studies conducted in various regions and nations. In this context, the recent article explores the nonlinear effects of industrial output, renewable energy, technological innovations, energy efficiency, and urbanization on CO emissions in the top ten industrialized countries.

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.

Revolutionizing rheumatoid arthritis treatment with emerging cutaneous drug delivery systems: overcoming the challenges and paving the way forward.

Rheumatoid arthritis (RA) is a chronic inflammatory disorder of the articulating joints. Though considerable progress has been made in understanding the disease in the past 50 years, its pathogenesis remains unclear. The therapies for RA, such as nonsteroidal anti-inflammatory drugs, disease-modifying antirheumatic drugs, and glucocorticoids through conventional therapeutic delivery systems by percutaneous, intra-articular, intraperitoneal, oral, and intravenous administration, have shown their own disadvantages, which eventually reduce patient compliance for long-term therapy.

Advancements in biohydrogen production - a comprehensive review of technologies, lifecycle analysis, and future scope.

The global shift towards sustainable energy sources, necessitated by climate change concerns, has led to a critical review of biohydrogen production (BHP) processes and their potential as a solution to environmental challenges. This review evaluates the efficiency of various reactors used in BHP, focusing on operational parameters such as substrate type, pH, temperature, hydraulic retention time (HRT), and organic loading rate (OLR). The highest yield reported in batch, continuous, and membrane reactors was in the range of 29-40 L H/L per day at an OLR of 22-120 g/L per day, HRT of 2-3 h and acidic range of 4-6, with the temperature maintained at 37 °C.

Signalling and molecular pathways, overexpressed receptors of colorectal cancer and effective therapeutic targeting using biogenic silver nanoparticles.

Increasing morbidity and mortality in CRC is a potential threat to human health. The major challenges for better treatment outcomes are the heterogeneity of CRC cases, complicated molecular pathway cross-talks, the influence of gut dysbiosis in CRC, and the lack of multimodal target-specific drug delivery. The overexpression of many receptors in CRC cells may pave the path for targeting them with multiple ligands.

Rheological behavior and release dynamics of pregelatinized pink potato starch modified by stearic acid.

The effects of stearic acid (5 %, 10 %, and 15 % w/w) and pregelatinized pink potato starch (20, 25, and 30 min) on complex formation, physicochemical properties, rheology, and release characteristics were investigated. Moisture content decreased from 14.26 % in pregelatinized starch to 13.

ct-DNA compaction by nanoparticles formed by silica and gemini surfactants having hydroxyl group substituted spacers: In vitro, in vivo, and ex vivo gene uptake to cancer cells.

Hybrid nanoparticles formed by Silica (SiO) coated with cationic gemini surfactants with variable hydroxyl group substituted spacers, 12-4(OH)-12,2Br and 12-4(OH)-12,2Br have shown a great extent of compaction of calf thymus DNA (ct-DNA) compared to conventional counterpart cationic surfactant, dodecyl trimethylammonium bromide (DTAB). Study shows not only the hydrophobicity of the spacer but also the hydrogen bonding interactions between the hydroxyl group substituted spacer and DNA have a great role in DNA compaction. 12-4(OH)-12,2Br is more efficient in compacting ct-DNA compared to 12-4(OH)-12,2Br due to the stronger binding of the former with ct-DNA than the latter.

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.