Synergistic Anxiolytic Effects of Linalool and Sesamol Co-Treatment on Swiss Albino Mice: A Potential GABAergic Intervention.

Sesamol (SES) and linalool (LIN) are aromatic compounds that have neuroprotective effects. The main purpose of this study is to evaluate the anxiolytic activity of LIN and SES co-treatment on Swiss albino mice and analyze its possible mechanism through in silico study. In this sense, the mice were given the gamma-aminobutyric acid type A receptors (GABA) agonist diazepam (DZP; 3 mg/kg, p.

Network Pharmacology and In Silico Elucidation of Phytochemicals Extracted from Ajwa Dates (Phoenix dactylifera L.) to Inhibit Akt and PI3K Causing Triple Negative Breast Cancer (TNBC).

Background: About 10-15% of all breast cancers comprise triple-negative breast cancer (TNBC), defined as cancer cells that lack receptors for the ER, PR, and HER2 protein receptors. Due to the absence of these receptors, treating TNBC using conventional chemotherapy is challenging and, therefore, requires the discovery of novel chemotherapeutic agents derived from natural sources.

Objective: The current work was intended to study the potential phytochemicals of Ajwa dates (Phoenix dactylifera L.

Flavonoids and other constituents from Jacaranda mimosifolia: In vitro analysis, molecular docking, and molecular dynamic simulations of antioxidant and anti-inflammatory activities.

The investigation of the methanol extract of the flowers of Jacaranda mimosifolia led to the isolation and characterisation of fourteen secondary metabolites (1-14) by the means of chromatographic and spectroscopic analysis. These compounds include eight flavonoids sorted as two flavonols (1-2), three flavones (3, 7-8), and three isoflavones (4, 9-10), two glucoiridoids (5-6), and four triterpenoids sorted as one oleanane (11), one hopane (12), and two lupane (13-14). The in vitro antioxidant potential of all the isolated compounds was evaluated using the ABTS- and FRAP- methods, which demonstrated concentration-dependent activity.

Assessment of clot-lysing and membrane-stabilizing capacity of ascorbic acid: approach with molecular docking.

This study aimed to evaluate the clot-lysing and membrane stabilizing capacities of ascorbic acid (AA) using and methods. For this, we used clot lysis and hemolyzing tests to check the anti-atherothrombosis and membrane-stabilizing properties of AA, respectively. Additionally, molecular docking studies were performed to investigate AA's interactions with cyclooxygenase-1 (COX-1) and plasminogen enzymes.

Anxiogenic-like effects of coumarin, possibly through the GABAkine interaction pathway: Animal studies with in silico approaches.

Background: Anxiety disorder is the most common mental illness and a major contributor to impairment. Thus, there is an urgent need to find novel lead compounds to mitigate anxiety. It is widely recognized that the neurobiology of anxiety-related behavior involves GABAergic systems.

Integration of FTIR Spectroscopy, Volatile Compound Profiling, and Chemometric Techniques for Advanced Geographical and Varietal Analysis of Moroccan Eucalyptus Essential Oils.

Eucalyptus essential oil is widely valued for its therapeutic properties and extensive commercial applications, with its chemical composition significantly influenced by species variety, geographical origin, and environmental conditions. This study aims to develop a reliable method for identifying the geographical origin and variety of eucalyptus oil samples through the application of advanced analytical techniques combined with chemometric methods. Essential oils from Eucalyptus globulus and Eucalyptus camaldulensis were analyzed using Gas Chromatography-Flame Ionization Detection (GC-FID) and Fourier Transform Infrared (FTIR) Spectroscopy.

Gabaergic sedative prospection of sclareol-linalool co-treatment: An antagonistic intervention through in vivo and in silico studies.

Sleep disturbance causes many health problems in humans worldwide. This study evaluated the effects and possible mechanisms of sclareol (SCL) and/or linalool (LIN) through in vivo and in silico studies. For this, young chicks SCL (5, 10, and 20 mg/kg) and/or LIN (50 mg/kg) were orally administered thirty minutes before to the thiopental sodium (TS)-induced chicks with or without the standard drug diazepam (DZP: 3 mg/kg).

Trans-Ferulic acid reduces the sedative activity of diazepam in thiopental sodium-induced sleeping mice: A potential GABAergic transmission.

trans-Ferulic acid (TFA), a bioactive compound found in many plants, has been recognized for its diverse pharmacological activities, including potential neurological benefits. Previous studies suggest that TFA exerts anxiolytic effects via GABAergic pathways. This study aimed to investigate the sedative effects of TFA and its possible molecular mechanisms through in vivo and in silico approaches.

Qualitative Phytochemical Analysis and Assessments of Analgesic and Antidiarrheal Activity of the Methanolic Leaf Extract of Cheilanthes tenuifolia: In Vivo Study.

Background: Cheilanthes tenuifolia (Burm.f.), commonly known as the Sword Fern or Narrow-leaved Cloak Fern, is a little evergreen fern that belongs to the Pteridaceae family and is abundant in various bioactive compounds exerting promising medicinal properties.

Abietic acid antagonizes the anti-inflammatory effects of celecoxib and ketoprofen: Preclinical assessment and molecular dynamic simulations.

The present work is designed to explore the anti-inflammatory properties of AA and its modulatory effects on celecoxib (CEL) and ketoprofen (KET) through in vitro, ex vivo, in vivo, and in silico approaches. Different concentrations of AA were utilized to evaluate the membrane-stabilizing potential via egg albumin and the Human Red Blood Cell (HRBC) denaturation model. In the animal model, formalin (50 μL) was injected into the right hind paw of young chicks to induce inflammation.

Advancing Bioanalytical Method Validation: A Comprehensive ICH M10 Approach for Validating LC-MS/MS to Quantify Fluoxetine in Human Plasma and Its Application in Pharmacokinetic Studies.

A fast and sample cleanup approach for fluoxetine in human plasma was developed using protein precipitation coupled with LC-MS-MS. Samples were treated with methanol prior to LC-MS-MS analysis. Chromatographic separation was performed on a reverse phase column with an isocratic mobile phase of methanol and 10 mM ammonium formate pH acidified with formic acid (80:20, /) at a flow rate of 0.

Phytol exerts sedative-like effects and modulates the diazepam and flumazenil's action, possibly through the GABA receptor interaction pathway.

This study aimed at the evaluation of the sedative effect of phytol (PHY) with possible molecular mechanisms through in vivo and in silico studies. For this, adult male mice were randomly divided into six individual groups, namely control (vehicle), two standards (DZP: diazepam at 2 m/kg, FLU: flumazenil at 0.1 mg/kg), three test groups (PHY at 25, 50, and 75 mg/kg), and three combined groups with the DZP-2 and/or FLU-0.

Assessment of antiemetic activity of dihydrocoumarin: In vivo and in silico approaches on receptor binding affinity and modulatory effects.

Dihydrocoumarin (DCN) is a natural compound widely used in the flavor industry and has antioxidant and anti-inflammatory properties. However, its potential antiemetic effects on gastrointestinal disturbances remain untested. This study emphasizes assessing the antiemetic properties of the natural aromatic compound DCN using copper sulfate (CuSO.

Piperine's potential in treating polycystic ovarian syndrome explored through in-silico docking.

Polycystic Ovarian Syndrome (PCOS) is a multifaceted metabolic and hormonal condition that impacts women in their procreative ages, identified by ovarian dysfunction, hyperandrogenaemia overweight and insulin insensitivity. The piperine, an important alkaloid compound of black pepper has shown promise in modulating various physiological processes. In this work, employed computational docking studies to explore the potential of piperine as a treatment for PCOS.

Sedative Effects of Daidzin, Possibly Through the GABA Receptor Interaction Pathway: In Vivo Approach with Molecular Dynamic Simulations.

The soy isoflavone daidzin (DZN) has been considered a hopeful bioactive compound having diverse biological activities, including anxiolytic, memory-enhancing, and antiepileptic effects, in experimental animals. However, its sedative and hypnotic effects are yet to be discovered. This study aimed to evaluate its sedative/hypnotic effect on Swiss mice.

Unveiling the antibacterial efficacy of thiazolo [3,2-a] pyrimidine: Synthesis, molecular docking, and molecular dynamic simulation.

Two series of C-Mannich base derivatives were synthesized and evaluated through the reaction of formaldehyde, two thiazolo-pyrimidine compounds, and various 2°-amines. The chemical structures and inherent properties of the synthesized compounds were authenticated using a variety of spectroscopic techniques. The aseptic bactericidal potential of the compounds was assessed alongside five common bacterial microbes, with Ampicillin employed as the reference drug.

Anti-inflammatory effects of thymol: an emphasis on the molecular interactions through approach and molecular dynamic simulations.

Thymol (THY), as the natural monoterpene phenol, acts against oxidative stress and inflammatory processes. This study aimed to evaluate the anti-inflammatory effects and possible molecular mechanisms of THY via formalin-induced mouse and egg albumin-induced chick models alongside molecular docking and molecular dynamic (MD) simulations. THY (7.

Quercetin and Kaempferol as Multi-Targeting Antidiabetic Agents against Mouse Model of Chemically Induced Type 2 Diabetes.

Diabetes, a multifactorial metabolic disorder, demands the discovery of multi-targeting drugs with minimal side effects. This study investigated the multi-targeting antidiabetic potential of quercetin and kaempferol. The druggability and binding affinities of both compounds towards multiple antidiabetic targets were explored using pharmacokinetic and docking software (AutoDock Vina 1.