Synthesis, in vivo analgesic activity, molecular docking and density functional theory analysis of acyl hydrazide derivatives of mefenamic acid.

This study explores the synthesis of new acyl hydrazide derivatives of mefenamic acid as potent analgesics with enhanced safety profiles. Thirteen compounds were synthesized via hydrazide intermediate functionalization and characterized spectroscopically (H/C NMR, and HRESI-MS). In vivo evaluation (acetic acid writhing, formalin paw licking, and tail immersion tests) revealed significant peripheral and central analgesic activity, with compounds 5 (N'-(4-chlorobenzoyl)) and 11 (N'-(2,4-dichlorophenyl)) outperforming mefenamic acid (81.

Plastome structure, evolution and diversity of Frankincense-producing Boswellia genus.

The genus Boswellia is famous for its commercially important frankincense production. Additionally, it has unique ecological and taxonomic importance. However, the Boswellia species often face natural hybridization, and the lack of genomic datasets frequently contributes to taxonomic uncertainties.

Impact of various surfactants on the properties of fucoidan-based biopolymer films extracted from brown seaweed (Padina boergesenii) for active food packaging.

This study investigates the effect of various surfactants, such as Lecithin, Span 80, and Tween 80, on the physicochemical properties of biopolymer films fabricated from fucoidan extracted from brown seaweed and gelatin. The fucoidan was extracted from brown seaweed (Padina boergesenii) using a modified formalin and ethanol precipitation method to obtain a sulfated polysaccharide and combined with gelatin to make composite films by casting method. Surfactants were introduced to enhance oil (juniper berry oil) dispersion and modify the film's characteristics.

A quality-by-design optimized LC method for navigating degradation kinetics and quantification of favipiravir in the presence of degradation products and manufacturing impurities.

Emergent viruses require effective treatment regimens, and the severe acute respiratory syndrome coronavirus-2 variants are still evolving. Favipiravir has emerged as an effective antiviral medication, especially after its popularity against COVID-2019. Despite its growing popularity, favipiravir has not yet been included in any pharmacopeia, and new dosage forms are being developed to improve its bioavailability for various infections.

Discovery of Furan-tethered Triazolothiadiazoles and Triazolothiadiazines as Potent Tyrosinase Inhibitors for the Treatment of Skin Diseases: Insights from Kinetics Data and Computational Modeling.

Introduction: Tyrosinase, a copper-containing enzyme, is responsible for melanin production, and its overactivity can lead to hyperpigmentation.

Methods: This study aimed to evaluate triazolothiadiazoles (3a-h, 4a-f) and triazolothiadiazines (5a-h) against human and mushroom tyrosinase isozymes.

Results: Several derivatives, such as 3a-3b, 3d, 4c-4f, 5d, and 5e, were identified as potent and selective inhibitors of mushroom tyrosinase, with IC50 values ranging from 1.

Extracellular vesicles derived from MSCs carrying dexamethasone alleviate inflammatory damage in septic mice.

Sepsis is a life-threatening condition resulting from an uncontrol immune response to infection. Current treatment options remain limited and often ineffective, highlighting the need for supportive anti-inflammatory and immunomodulatory strategies. Mesenchymal stem cell (MSC)-derived extracellular vesicles (EVs) can be a good supportive candidate because of their immunomodulatory and drug-delivery properties.

Identifying potent natural inhibitors of the hepatitis C virus NS3 protein using multiple computational and molecular approaches.

The NS3 protein of hepatitis C virus is an appealing target for therapeutic research because of its notable role in hepatitis C virus (HCV) replication and immune evasion. We employed a comprehensive interdisciplinary strategy to discover new inhibitors of the NS3 protein, targeting all major HCV genotypes (1a-6a) and mutant strains, using a combination of a structural-based drug design approach with in vitro and molecular studies. Initially, 14 potential binders were identified from our in-house database of approximately 950 compounds via docking-based screening.

Design and synthesis of novel quinoline-piperazines fused to a phenylhydrazinecarbothioamide scaffold as promising α-glucosidase inhibitors with anti-diabetic potential.

Aims: This study focused on the design, synthesis, and dual evaluation of novel quinoline-benzoylhydrazine derivatives as α-glucosidase inhibitor for the management of hyperglycemia and type 2 diabetes mellitus.

Materials & Methods: A series of quinoline-benzoylhydrazine compounds were synthesized and evaluated as α-glucosidase inhibitors. The most active compound was subjected to the kinetic study plus molecular docking and molecular dynamics simulations to elucidate the mechanism of inhibition and stability.

Synthesis of (E)-3-(aryl)-1-phenylprop-2-en-1-one Chalcone Derivatives for Hyperglycemic Effect in Diabetes: In-vitro, In-vivo and In-silico Approach.

Background: Diabetes mellitus (DM) is a chronic metabolic disorder that seeks treatment instead of available mitigative therapy.

Methods: Six (E)-3-(aryl)-1-phenylprop-2-en-1-one chalcones were synthesized and characterized through various spectroscopic techniques. Their anti-diabetic potential was examined through in-vitro (α-glucosidase and α-amylase inhibition assays), in-vivo (alloxan-induced hyperglycemia), and in-silico studies.

Genome-wide and transcriptome analysis of PdWRKY transcription factors in date palm (Phoenix dactylifera) revealing insights into heat and drought stress tolerance.

Genomic and transcriptomic studies on date palm (Phoenix dactylifera) are still inadequate, but several studies have contributed to understanding its genetic makeup, especially in the Khalas cultivar. Looking at the extensive importance of WRKY transcription factors (TFs) in plant growth, development and defense responses to various biotic and abiotic stresses, we conducted a study to identify and functionally annotate the WRKY TFs of P. dactylifera, with a particular focus on their involvement in drought and heat stress.

Molecular assessment of carbapenem-resistant and ESBL Klebsiella pneumoniae clinical isolates to decipher the correlation of antimicrobial resistance with virulence traits.

Klebsiella pneumoniae is a nosocomial pathogen that poses a serious concern due to the high prevalence of extended-spectrum beta-lactamases (ESBL) and carbapenem-resistant K. pneumoniae (CRKP) strains. However, the data on the prevalence of contributing virulence determinants are limited in the Pakistani population.

Exploring tryptamine derivatives as potential agents for diabetes and cancer treatment: kinetics, molecular docking, and cell toxicity based investigations.

Abnormal glucose levels in diabetes mellitus cause chronic complications like neuropathy, nephropathy, retinopathy, cataract, and cardiovascular issues. Aldose reductase (AR), an enzyme in the polyol pathway, is crucial for developing treatments for diabetic complications. To this end, a series of twenty inhibitors based on tryptamine scaffolds were synthesized and assessed for their efficacy in inhibiting AR activity.

Towards Cytotoxic Derivatives of Cafestol.

This study focuses on the extraction, characterization, and biological evaluation of diterpenes from green coffee beans, specifically, cafestol and kahweol. These compounds, known for their potential health benefits, were isolated via optimized extraction and saponification processes. Separation was achieved using silver nitrate-impregnated silica gel, and structural elucidation was performed through advanced 1D and 2D NMR techniques, including HSQC, HMBC, and (IN)ADEQUATE.

'Unlocking the potential of cefuroxime axetil metal complexes: a multifaceted approach to discovering -glucosidase inhibitors through MD simulations, POM analyses, and pharmacophore site identification'.

Due to the poor bioavailability of Cefuroxime axetil, the current study explored the synthesis of complexes of a Cefuroxime axetil with metal ions thereby increasing their biological activities. This structural modification on the one hand solves the solubility problem and on the other hand may tend to improve the pharmacology, toxicology, and other physio-chemical properties of the drug. Cefuroxime-loaded metal complexes of CrBr.

Epidemiology of Candidemia, Candiduria and Emerging Candidozyma (Candida) auris Across Gulf Cooperative Council Countries and Yemen in the Arabian Peninsula.

Candida infections represent a major component of invasive and non-invasive mycoses globally, including the countries in the Arabian Peninsula. In this review, we present epidemiological features and trends, clinical manifestations, species distribution, antifungal susceptibility, and outcomes available for candidemia and candiduria in six countries of the Gulf Cooperation Council (GCC) and Yemen, all located in the Arabian Peninsula. We discuss gaps in knowledge and provide recommendations for improving various aspects for better management of infections by these fungal pathogens.

Semisynthesis of Novel Alicyclic Triterpene-Triazole Derivatives from Boswellia sacra Gum Resin: Potential Anti-breast Cancer and Immunomodulatory Effects on T‑Cell Activation.

In this current work, we report on the design, synthesis, cytotoxicity of new compounds, molecular docking studies, and and evaluations of 24 new alicyclic triterpene amide-containing 1-1,2,3-triazole derivatives (, , - and -). All new compounds were characterized by H-, C-, F-NMR, and HR-ESI-MS spectroscopic techniques. X-ray crystallography unambiguously confirmed the exact structure of .

Chloroquine and hydroxychloroquine: Immunomodulatory effects in autoimmune diseases.

Chloroquine (CQ) and hydroxychloroquine (HCQ), originally developed as antimalarial drugs, have found a new purpose in treating various autoimmune diseases due to their immunomodulatory properties. These drugs work through multiple mechanisms, including inhibiting Toll-like receptor signaling, suppressing antigen presentation, and modulating autophagy. This review article provides a comprehensive analysis of the immunomodulatory effects of CQ and HCQ in several autoimmune diseases such as systemic lupus erythematosus, rheumatoid arthritis, systemic sclerosis, and others.

Synthesis of benzimidazole-based hydrazones as potential anticarbonic anhydrase agents: a theoretical and experimental investigations.

In this research, a series of new hydrazone-Schiff bases of benzimidazole were synthesized in good yields through three step reactions, and the structures were confirmed by means of modern spectroscopic techniques (HR-ESI-MS, H-, and C NMR). These compounds have been assessed for their carbonic anhydrase (CA) inhibitory activity, 12 derivatives showed potent inhibition (IC = 13.29 ± 0.

New derivatives of paracetamol as potent -glucosidase inhibitors: synthesis, and studies.

Twenty novel derivatives (-) of the commercially available drug paracetamol () were synthesized in decent yields by refluxing ethyl chloroacetate with paracetamol in the presence of potassium carbonate in DMF solvent to obtain ethyl 2-(4-acetamidophenoxy)acetate (), which was further treated with hydrazine hydrate in absolute ethanol to get paracetamol hydrazide (). Finally, various substituted aliphatic and aromatic aldehydes were refluxed with the hydrazide to get hydrazone-Schiff base derivatives (). Structures of the synthesized derivatives were deduced through modern spectroscopic techniques (C-,H-NMR, and HR-ESI-MS).

Metabolic reprogramming in viral infections: the interplay of glucose metabolism and immune responses.

Metabolic reprogramming is an important player within the immune response to viral infections, allowing immune cells to fine-tune their energy production and biosynthetic requirements while it is actively working to restrict pathogen access to essential nutrients. Particularly, glucose metabolism, which appears to be one of the important regulators of immune function, affects immune cell activation, cytokine secretion, and pathogen restriction. This review explores the mechanisms of metabolic reprogramming during viral infections, with a specific emphasis on glucose metabolism.

3-O-acetyl-11-keto-beta-boswellic acid (β-AKBA) and 11-keto-beta-boswellic acid (β-KBA) increase FoxP3 expression in CD4 T regulatory cells.

Boswellic acids (BAs) have multiple beneficial effects against inflammatory and autoimmune diseases. However, their immunomodulatory activities are poorly understood. Herein, we investigated whether individual compounds of BAs including β-BA, β-KBA, and β-AKBA extracted from Boswellia sacra, have any potential effects on the phenotype of human T regulatory cells (Tregs), by analyzing the expression of Treg markers including FoxP3 and Helios transcription factors.

Therapeutic role of Crateva religiosa in diabetic nephropathy: Insights into key signaling pathways.

Crateva religiosa, a plant used in traditional medicine, is valued for its bioactive properties. Traditional approaches are more accepted worldwide as a cost effective alternatives being used in network pharmacology to explore the complex interactions of drug targets among molecular pathways. The study investigated the potential of Crateva religiosa's phytoconstituents using meticulous computational analysis and empirical confirmation.

Bioassay-guided isolation of a new cytotoxic compound targeting carbonic anhydrase-II: structure-activity relationships and dynamics studies.

Bioassay-guided isolation of A.J. Scott afforded one new natural product (lupeol butyl ether, ), along with sixteen known metabolites (-) reported from this source for the first time.