Design, Synthesis, In Silico Absorption, Distribution, Metabolism, and Elimination and Molecular Docking Studies of Thiazole-Based Furan Derivatives, and Their Biological Evaluation for Alzheimer Disease Therapy.

Herein, a series of novel 5-hydroxymethylfuran incorporated thiazole-based furan derivatives are synthesized and characterized. The in vitro inhibitory potentials of the derivatives against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) are evaluated. In addition, the inhibitory potential of the thiazole-based furan derivatives against AChE (4EY7) and BChE (4BDS) proteins is examined as in silico.

Imidazolium salts carrying two positive charges: design, synthesis, characterization, molecular docking, antibacterial and enzyme inhibitory activities.

Introduction: The discovery of alternative drugs has gained importance due to the many side effects of these drugs used for treatment.

Methods: Herein, the synthesis of a series of unsymmetrical imidazolium salts containing 4-acetylphenyl/4-formylphenyl and bioactive heterocyclic groups such as morpholine, piperidine, pyrrole or pyridine was reported. 4-(1--imidazol-1-yl)acetophenone and 4-(1--imidazol-1-yl)benzaldehyde were used as salt precursors.

Phytochemical Compositions and Bioactive Properties of Plantago lanceolata L.: Anti-oxidant, Anti-diabetic, and Anti-cholinergic Potentials.

In this study, the phenolic compound profile, antioxidant capacity, and inhibition potential on enzymes associated with diseases such as Alzheimer's disease (AD) and diabetes of Plantago lanceolata L. (PL) extract were investigated in detail. Quantitative analysis of phenolic compounds was performed by advanced liquid chromatography-tandem mass spectrometry (LC-MS/MS), and the highest concentration of the phenolic was observed in fumaric acid (4486.

Potential Inflammatory Mediators in Pericardial Fluids of Patients With Coronary Artery Diseases and Their Association With Plasma Biomarkers.

The aim of this study was to determine the gene expression and protein levels of interleukin-33 (IL-33), fetuin A and cytokeratin 18 (CK-18) in the pericardial fluid (PF) and plasma of patients with coronary artery disease (CAD) undergoing coronary artery bypass grafting (CABG). The CAD patients (mean age: 73.4 years) were enrolled.

Design, Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel 1,3,4-Thiadiazole Derivatives Targeting Both Aldose Reductase and α-Glucosidase for Diabetes Mellitus.

We have developed new 1,3,4-thiadiazole derivatives and examined their ability to inhibit aldose reductase and α-glucosidase. All of the members of the series showed a higher potential of aldose reductase inhibition ( : 15.39 ± 1.

Phenolic Content, Antioxidant Capacity, and Therapeutic Potential of Mango ( L.) Leaves.

The phenolic composition, antioxidant capacity, and enzyme inhibition activities of L. leaf (MLs) ethanol extract were comprehensively evaluated to explore its therapeutic and industrial applications. Quantitative profiling of 21 phenolic compounds was performed using the LC-MS/MS method, with vanillic acid (1242.

Sulfonamide-Bearing Pyrazolone Derivatives as Multitarget Therapeutic Agents: Design, Synthesis, Characterization, Biological Evaluation, In Silico ADME/T Profiling and Molecular Docking Study.

The research and design of new inhibitors for the treatment of diseases such as Alzheimer's disease and glaucoma through inhibition of cholinesterases (ChEs; acetylcholinesterase, AChE and butyrylcholinesterase, BChE) and carbonic anhydrase enzymes are among the important targets. Here, a series of novel sulfonamide-bearing pyrazolone derivatives (1a-f and 2a-f) were successfully synthesized and characterized by using spectroscopic and analytical methods. The inhibitory activities of these newly synthesized compounds were evaluated both in vitro and in silico for their effect on carbonic anhydrases (hCA I and hCA II isoenzymes) and ChEs.

Therapeutic potential of extract by experimental and computational approaches: phenolic content and bioactivities for antioxidant, antidiabetic, and anticholinergic properties.

Introduction: (LN), has traditional medicinal uses, and this study investigates its therapeutic potential by focusing on its phenolic content and bioactivities such as antioxidant, antidiabetic, and anticholinergic properties. Phenolic compounds play key roles in reducing oxidative stress and modulating enzymatic activities, relevant to metabolic and neurodegenerative disorders.

Methods: LN leaf extracts were prepared via ethanol maceration, followed by filtration and concentration.

Discovery of Hydrazine Clubbed Thiazoles as Potential Antidiabetic Agents: Synthesis, Biological Evaluation, and Molecular Docking Studies.

In this study, hydrazine clubbed thiazole derivatives (3a-3j) were obtained by Hantzsch thiazole synthesis and characterized by MS, H NMR, and C NMR. The inhibitory potentials of the derivatives against diabetes-related enzymes such as aldose reductase (AR), α-glycosidase (α-GLY), and α-amylase (α-AMY) were experimentally determined, and the results were supported by molecular docking. The results showed that the derivatives (3a-3j) displayed varied degree of potential inhibitory activity, with K values covering the following ranges: 5.

Synthesis, α-Glucosidase, α-Amylase, and Aldol Reductase Inhibitory Activity with Molecular Docking Study of Novel Imidazo[1,2-]pyridine Derivatives.

Inhibition ofaldose reductase (AR), α-glycosidase (α-GLY), and α-amylase (α-AMY) are some of the essential targets in diabetes mellitus (DM). Here, a series of imidazo[1,2-]pyridine-based 1,3,4-thiadiazole derivatives (-) were successfully synthesized and characterized using H NMR, C NMR, and HRMS spectroscopic techniques. The inhibition effects of the synthesized derivatives against AR, α-GLY, and α-AMY were evaluated using both in vitro and in silico methods.

Interactions of novel 1,3-diaryltriazene-sulfamethazines with carbonic anhydrases: Kinetic studies and in silico simulations.

Sulfonamides, recognized as carbonic anhydrase (CA, EC 4.2.1.

Frequency of Post Traumatic Stress Disorder and Associated Factors Among Survivors of Van Avalanche: 6-Month Follow-up Study.

Objective: We aimed to evaluate the frequency of Post Traumatic Stress Disorder (PTSD), to determine the risk factors, and to monitor the change of symptoms after 6 months among individuals who survived the avalanche disaster in Van.

Method: Face-to-face interviews were conducted with 35 people who were rescued from two consecutive avalanche disasters in Van 2 months and 6 months after the avalanche disaster. The socio-demographic and clinical data of the cases were evaluated.

Dynamics of small molecule-enzyme interactions: Novel benzenesulfonamides as multi-target agents endowed with inhibitory effects against some metabolic enzymes.

In contemporary medicinal chemistry, employing a singular small molecule to concurrently multi-target disparate molecular entities is emerging as a potent strategy in the ongoing battle against metabolic disease. In this study, we present the meticulous design, synthesis, and comprehensive biological evaluation of a novel series of 1,2,3-triazolylmethylthio-1,3,4-oxadiazolylbenzenesulfonamide derivatives (8a-m) as potential multi-target inhibitors against human carbonic anhydrase (EC.4.

Antioxidant, antidiabetic effects and polyphenolic contents of propolis from Siirt, Turkey.

Propolis, a natural product collected by honeybees from various plant sources, has gained significant attention due to its diverse bioactive compounds and potential therapeutic properties. To further explore its contents and biological activities, this study aimed to analyze the phenolic compounds in Siirt propolis extracts obtained using different solvents, namely ethanol, water, and ethanol-water mixtures. The primary objective of this research was to investigate the phenolic profile, as well as the antidiabetic and antioxidant activities of the propolis extracts.

Explainable artificial intelligence in the design of selective carbonic anhydrase I-II inhibitors via molecular fingerprinting.

Inhibiting the enzymes carbonic anhydrase I (CA I) and carbonic anhydrase II (CA II) presents a potential avenue for addressing nervous system ailments such as glaucoma and Alzheimer's disease. Our study explored harnessing explainable artificial intelligence (XAI) to unveil the molecular traits inherent in CA I and CA II inhibitors. The PubChem molecular fingerprints of these inhibitors, sourced from the ChEMBL database, were subjected to detailed XAI analysis.

Isolation of phenolic compounds from eco-friendly white bee propolis: Antioxidant, wound-healing, and anti-Alzheimer effects.

This study presents the first findings regarding extraction, isolation, enzyme inhibition, and antioxidant activity. The oral mucosal wound-healing process was investigated using propolis water extract (PWE) incubation with gingival fibroblast cells and concluded that propolis was effective on the oral mucosal wound-healing pattern compared to untreated controls. Additionally, phenolic compounds (fraxetin, apigenin, galangin, pinobanksin, chrysin, etc.

Effect of fentanyl and remifentanil on neuron damage and oxidative stress during induction neurotoxicity.

Opioids can be used for medical and non-medical purposes. Chronic pain such as cancer, as well as the frequent use of such drugs in places such as operating rooms and intensive care units, and in non-medical areas like drug abuse the effects and side effects of these drugs need to be examined in more detail. For this purpose, the effects of fentanyl and remifentanil drugs on neuroinflammation, oxidative stress and cholinesterase metabolism were investigated.

Phenolic Content Analysis of Two Species Belonging to the Family: Antioxidant, Anticholinergic, and Antibacterial Activities.

The family are utilized as ornamental, medicinal, and food supplements throughout the world. The current study focuses on a comparative analysis of the phenolic compositions and bioactivities (including antioxidant, anticholinergic, and antibacterial activities) of ethanolic extracts derived from the aerial parts of the two species ( L. and Boiss).

Design and Synthesis of Pyrazole Carboxamide Derivatives as Selective Cholinesterase and Carbonic Anhydrase Inhibitors: Molecular Docking and Biological Evaluation.

The present study focused on the synthesis and characterization of novel pyrazole carboxamide derivatives (SA1-12). The inhibitory effect of the compounds on cholinesterases (ChEs; AChE and BChE) and carbonic anhydrases (hCAs; hCA I and hCA II) isoenzymes were screened as in vitro. These series compounds have been identified as potential inhibitors with a K values in the range of 10.

Evaluation of the relationship among gene expressions and enzyme activities with antioxidant role and presenilin 1 expression in Alzheimer's disease.

It is known that oxidative stress originating from reactive oxygen species plays a role in the pathogenesis of Alzheimer's disease. In this study, the role of antioxidant status associated with oxidative stress in Alzheimer's disease was investigated. Peripheral blood samples were obtained from 28 healthy individuals (as control) and 28 Alzheimer's patients who met the National Institute of Neurological and Communicative Diseases and Stroke/Alzheimer's Disease and Related Disorders Association criteria.

Paramagnetic characterization of fossil mollusc shells at eastern part of the old Konya lake: its importance for EPR dating.

Fossil mollusc shells are used for dating geological materials because they are well preserved throughout geological time. In this study, the radicals in the structure of fossil mollusc shells (Dreissena iconica, Valvata piscinalis, Bithynia tentaculate, Unio pictorum) collected from the Eastern Part of Old Konya Lake in Türkiye were investigated by EPR technique. For all fossil shells, microwave and temperature dependence of the signals were examined, and the signals suitable for dating are discussed.

CVD22: Explainable artificial intelligence determination of the relationship of troponin to D-Dimer, mortality, and CK-MB in COVID-19 patients.

Background And Purpose: COVID-19, which emerged in Wuhan (China), is one of the deadliest and fastest-spreading pandemics as of the end of 2019. According to the World Health Organization (WHO), there are more than 100 million infectious cases worldwide. Therefore, research models are crucial for managing the pandemic scenario.

Anticholinergic, Antioxidant, and Antibacterial Properties of Vitex Agnus-Castus L. Seed Extract: Assessment of Its Phenolic Content by LC/MS/MS.

In this current study, Vitex agnus-castus seed ethanol extracts were analyzed for their phytochemical component content, anticholinergic and antioxidant activities, and antibacterial properties. The phenolic compound composition of these seeds was determined by using LC/MS/MS. Antioxidant activity of the seeds was examined by the DPPH, ABTS, Fe -Fe reducing, and CUPRAC.