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.

Treatment outcomes and safety profile of SGLT2 inhibitors versus GLP-1 agonists in type 2 diabetes mellitus : Systematic review of real-world observational studies.

Purpose: Several pharmacotherapies are available to treat type 2 diabetes mellitus (T2DM) among which sodium-glucose cotransporter 2 inhibitors (SGLT2is) and glucagon-like peptide 1 (GLP-1) receptor agonists are significant. The current systematic review aims to critically evaluate various clinical outcomes and safety profile of SGLT2is in comparison to GLP‑1 receptor agonists for the management of T2DM utilizing real-world clinical data.

Methods: A total of 22,100 research articles were extracted from several electronic databases including EMBASE, PubMed, Clinicaltrials.

Predictive modelling of radon variations in time series using wavelets, multiple linear regression and ARIMA.

Radon (Rn), a naturally occurring radioactive gas, is the byproduct of the uranium decay series. As a naturally radioactive gas, radon is frequently used as a geophysical tracer to find underground faults and geological formations, in uranium surveys, and to forecast seismic events. Abnormalities in radon time-series (RTS) data have been studied before seismic events, indicating that it may act as an earthquake precursor.

In vivo anti-inflammatory evaluation of oxadiazole derivatives bearing flurbiprofen moiety using experimental and computational approaches.

Improving anti-inflammatory and analgesic drugs with negligible adverse effects remains a significant challenge for long-term use. In the present study, flurbiprofen-based oxadiazole derivatives were synthesized and evaluated for their in vivo anti-inflammatory activity using the carrageenan-induced paw edema assay in mice. Amongst the tested compounds, 10, 3, and 5 exhibited remarkable anti-inflammatory activity, with edema inhibition rates of 88.

Decoding prescriptions: A closer look at common errors in clinical practice across community pharmacies of Northern Cyprus.

Prescription documentation is essential for patient safety and medication efficacy. However, incomplete or illegible prescriptions can lead to errors, including drug-drug interactions (DDIs). This study evaluated the completeness, clarity and quality of handwritten and electronic prescriptions from community pharmacies in Northern Cyprus, assessing compliance with WHO guidelines.

Humidity Assisted Selective Ion Exclusion in 0D Mixed Halide Perovskite Related Structures for Multimode Anti-counterfeiting.

Developing materials that are capable of switching the luminescence in response to a stimuli in solid-state are highly desirable for advanced anticounterfieting applications. Herein, we report 0D mixed halide perovskite-related structures (0D-MHs) that undergo reversible phase transformation in the presence of humidity, which results in the rapid and reversible luminescence color switching from green to red. It is found that selective ion exclusion takes place in the presence of humidity, which results in the formation of either iodide-rich 3D perovskite or bromide-rich 3D perovskite.

Dissolving Microneedle Transdermal Patch Loaded with Nanoliposomes of for the Management of Type II Diabetes.

Type 2 diabetes mellitus (T2DM) is the most common form of diabetes and presents a significant global health challenge, characterized by insulin resistance and a relative deficiency in insulin secretion. There is growing interest in exploring crude herbal extracts for diabetes management, particularly (Chota Chirata), an Ayurvedic remedy from the Gentianaceae family. Encapsulating these extracts in nanocarriers has shown promise due to its enhanced bioavailability, targeted delivery, and sustained release.

Exploring the Cholinesterase Inhibitory Potential of Azines Bearing a 4,4-bisdimethylaminobenzophenone Scaffold: An Experimental and Computational Approach.

Background: Acetyl and butyrylcholinesterase are significant enzymes involved in neurological diseases, and the development of more effective inhibitors is crucial for beneficial interference.

Objective: To evaluate the cholinesterase inhibition effect of the synthetic bis-Schiff base compounds and discover the electronic properties as well as binding affinities through computational studies.

Methods: The compounds were synthesized and screened against acetyl and butyrylcholinesterase inhibitory activities in-vitro, while DFT analysis and molecular docking studies were performed for the product compounds.

Synthesis, biological activities and computational studies of bis-Schiff base derivatives of 4-hydroxyacetophenone: insights from an , molecular docking and dynamics simulation approach.

This study is based on the synthesis and acetyl and butyryl cholinesterase inhibitory activities of some bis-Schiff base derivatives of 4-hydroxyacetophenone. All the synthesized products (2a-j) were structurally analysed by means of modern spectroscopic methods, including H- and C-NMR and EI-MS, and finally tested for their ability to inhibit cholinesterase enzymes. In the series, six compounds-2j (IC = 15.

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).

Polyhydroquinoline Amides: Comprehensive Study on Synthesis, In Vivo Biological Activities, and Computational Analysis Including Molecular Docking, DFT, and ADMET.

Twenty-four new amide derivatives of polyhydroquinoline were synthesized, deduced structurally, and evaluated for in vivo anti-inflammatory, analgesic, and calcium channel-blocking activities. Before performing experiments in vivo we performed FMO analysis based on TD-DFT/B3PW91-D3/6-311G++** calculations, displaying a combination of favorable reactivity indices for all compounds , including low values, high softness, and balanced electronegativity and electrophilicity. Their diverse structural features for all compounds suggest that they may interact with different biological targets or have varying mechanisms of action.

Neuroprotective effect of Bergenin in diabetic neuropathy: modulation of AMPK and NF-κB signaling.

Aim And Objectives: This study explores the therapeutic potential of Bergenin (BER), a plant-derived bioactive compound, in treating diabetic neuropathy, with a focus on its effects on activated protein kinase (AMPK) signaling pathways.

Methodology: Diabetic rats were randomly divided into several groups: a control group, an STZ-only group, control groups treated with varying doses of BER (10, 20, and 40 mg/kg), and a group treated with pregabalin (PRE) at 10 mg/kg. After the treatment period, blood samples and sciatic nerve tissues were collected for analysis.

Discovering the Cholinesterase Inhibitory Potential of Thiosemicarbazone Derivatives through , Molecular Docking, Kinetics, and Dynamics Studies.

Background: The current study explored the cholinesterase inhibitory activities of some thiosemicarbazone derivatives bearing 2,4-dichloro phenylacetic acid scaffold.

Objective: This study aimed to screen the synthesized derivatives for their acetylcholine and butyrylcholinesterase inhibition.

Methods: These compounds were synthesized by refluxing 2,4-dichloro phenylacetic acid with sulfuric acid in ethanol to get the ester, which was further refluxed with thiosemicarbazide in ethanol to get the desired compound (2).

Exploring the anti-diabetic potential of bis-Schiff base derivatives of benzimidazole: In-Vitro α-amylase, α-glucosidase inhibition, molecular docking, ADMET and DFT studies.

This work explores the anti-diabetic activities of some synthesized benzimidazole based bis-Schiff base derivatives. The synthesized products were screened for their in vitro α-amylase and α-glucosidase inhibitory activities. In the synthetic derivatives, seven compounds attributed excellent anti-diabetic potential in the range of IC values from (IC = 2.

One-pot four-component synthesis of some novel hydrazone-Schiff bases of polyhydroquinoline as potent tyrosinase inhibitors: molecular docking and simulations approaches.

Seventeen novel polyhydroquinoline based Schiff bases were synthesized in excellent yields through Hantzsch reaction, characterized by means of spectroscopic techniques and finally screened for their tyrosinase inhibitory potential. Among the series, five compounds (IC = 8.93 ± 0.

Critical Challenges in Cancer Immunotherapy and Cardiac Health.

Cancer immunotherapy is based on immune checkpoint inhibitors (ICIs) and has brought a revolution in oncology with promising treatment possibilities for diverse cancers. Yet, immune-related adverse events (irAEs) frequently limit the clinical efficacy of ICIs, with cardiotoxicity representing a significant salient consequence. These ICI side-effects underscore the need for well-established models for the assessment of cardiac risk.

Identification of potential therapeutics by targeting AcrB protein from AcrAB-TolC multidrug efflux pump of : an in-silico exploration.

Antibiotic resistance, a critical global health concern, arises as bacteria and other microbes evolve to resist drugs. The AcrB protein, a key component of the AcrAB-TolC multidrug efflux pump in , plays a significant role in antibiotic resistance and presents an opportunity for new drug development. Inhibiting this pump has the potential to reverse antibiotic resistance and restore drug efficacy.

Design and synthesis of terephthalic dihydrazide analogues as dual inhibitors of glycation and urease.

The overexpression of urease is the root cause of peptic ulcers and gastritis. Therefore, introducing new inhibitors against urease is a possible therapeutic approach to overcoming the pathogenesis; for instance, limiting the risk of development of urinary calculi. Moreover, glycation is the leading cause of several complications.

Enhanced piezoresponse in van der Waals 2D CuCrInPS through nanoscale phase segregation.

van der Waals metal chalcogen thiophosphates have drawn elevated interest for diverse applications, including energy harvesting, electronics and optoelectronics. Despite this progress, the role of nanoscale ion migration in complex intermediary thiophosphate compounds has not been well understood, resulting in their structure-property characteristics remaining elusive. Herein, we focus on copper-deficient CuCrInPS as a prototypic layered thiophosphate compound to address this shortcoming.

Targeting Anaplastic Lymphoma Kinase in Oncology: Identification and Computational Validation of Novel Inhibitors for Anaplastic Large Cell Lymphoma, Non-small Cell Lung Cancer, and Neuroblastoma.

Background: Anaplastic Lymphoma Kinase (ALK) is implicated in several cancers, including anaplastic large cell lymphoma, non-small cell lung cancer, and neuroblastoma. Targeted inhibition of ALK represents a promising therapeutic strategy.

Aims: This study aimed to identify and evaluate potential ALK inhibitors using virtual screening and computational analyses to determine their binding stability, affinity, and dynamic behavior, ultimately assessing their potential as therapeutic agents for ALK-driven cancers.

Photoemission spectroscopy andsimulation of CrFeVGa and CoFeVSb: a comparative study.

We present a comprehensive photoemission study of two Vanadium-based quaternary Heusler alloys, CrFeVGa and CoFeVSb, which are highly promising candidates for spintronics and topological quantum applications. CrFeVGa exhibits large anomalous Hall conductivity due to the large Berry curvature originating from its non-trivial topological bands. In contrast, CoFeVSb displays a spin-valve-like behavior alongside excellent thermoelectric properties, such as ultra-low thermal conductivity and high power factor at room temperature.

Benzothiazole Derived Ether Hybrids as Potent Anti-Thymidine Phosphorylase Agents: Synthesis, In Vitro, and Computational Investigations.

This work is based on the synthesis of new ether derivatives bearing benzothiazole (BTA) scaffold through multistep reaction process. Initially, BTA was prepared by refluxing 4-hydroxybenzaldehyde with aminothiophenol having sodium metabisulfite in dimethylformamide (DMF); subsequently, the product was further refluxed with different substituted benzyl and alkyl bromides in acetone to get ether hybrids of BTA in good yields. Structurally, these compounds were confirmed by means of H, C-NMR, and mass spectrometry and evaluated for in vitro thymidine phosphorylase (TP) inhibitory activity.

LC and LC-MS/MS Analysis for Characterization of Novel Degradation Products of Ivosidenib: Exploration of Degradation Pathways and In Silico Predictions.

Ivosidenib (ISB) is an anticancer drug used to treat acute myeloid leukemia and cholangiocarcinoma. In order to determine and describe the degradation products (DPs) of ivosidenib, the International Conference on Harmonization (ICH) guidelines (Q1A, R2) suggest conducting stress degradation studies by subjecting the drug to acidic, alkaline, neutral hydrolysis, thermal, photolytic, and oxidative conditions. These studies are crucial for understanding the stability of the drug and ensuring its safe use.

Copper(II) complexes of 2-hydroxy-1-naphthaldehyde Schiff bases: synthesis, activity and computational studies.

Background: Due to the divers biological applications of Cu(II) complexes, we in this study reports the various Cu(II) complexes. The study aims to synthesize and assess new Cu(II) complexes as powerful β-glucuronidase inhibitors.

Methods: Five Schiff base ligands and their complexes were synthesized, characterized, and screened against β-glucuronidase inhibitory activity.