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Chemical Composition, In Vivo, and In Silico Molecular Docking Studies of the Effect of (Clove) Essential Oil on Ochratoxin A-Induced Acute Neurotoxicity.
Plants (Basel)
January 2025
Department of Pharmacognosy, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia.
The aim of our research was to understand the impact of ochratoxin A (OTA) exposure on various physiological and behavioral aspects in adult Wistar rats, and to evaluate the efficacy of a essential oil (EOC) treatment in restoring the damage caused by this toxin. The essential oils were extracted by hydrodistillation, a yield of 12.70% was obtained for EOC, and the GC-MS characterization of this essential oil revealed that its principal major components are eugenol (80.
View Article and Find Full Text PDFMolecular Dynamics (MD) Simulations Provide Insights into the Activation Mechanisms of 5-HT Receptors.
Molecules
October 2024
Department of Pharmaceutical Sciences, School of Pharmacy, Bouvé College of Health Sciences, Northeastern University, Boston, MA 02115, USA.
Recent breakthroughs in the determination of atomic resolution 3-D cryo-electron microscopy structures of membrane proteins present an unprecedented opportunity for drug discovery. Structure-based drug discovery utilizing in silico methods enables the study of dynamic connectivity of stable conformations induced by the drug in achieving its effect. With the ever-expanding computational power, simulations of this type reveal protein dynamics in the nano-, micro-, and even millisecond time scales.
View Article and Find Full Text PDFMolecular Insights into the Interaction of Tryptophan Metabolites with the Human Aryl Hydrocarbon Receptor : Tryptophan as Antagonist and no Direct Involvement of Kynurenine.
Front Biosci (Landmark Ed)
September 2024
Pharmacy and Allied Health Sciences, Iqra University, 7580 Karachi, Pakistan.
Background: A direct link between the tryptophan (Trp) metabolite kynurenine (Kyn) and the aryl hydrocarbon receptor (AhR) is not supported by metabolic considerations and by studies demonstrating the failure of Kyn concentrations of up to 100 μM to activate the receptor in cell culture systems using the proxy system of cytochrome 450-dependent metabolism. The Kyn metabolite kynurenic acid (KA) activates the AhR and may mediate the Kyn link. Recent studies demonstrated down regulation and antagonism of activation of the AhR by Trp.
View Article and Find Full Text PDFAnxiolytic and Anticonvulsant Effects of Fisetin Isolated from Bauhinia pentandra on Adult Zebrafish (Danio rerio).
Chem Biodivers
November 2024
Programa de Pós-Graduação em Química, Universidade Federal do Ceará, Campus do Pici, 60021-940, Fortaleza, CE, Brazil.
Anxiety and epilepsy are common worldwide and represent a primary global health concern. Fisetin, a flavonoid isolated from Bauhinia pentandra, has a wide range of biological activities may be a promising alternative to combat diseases related to the central nervous system (CNS). The present study aimed to investigate the anxiolytic and anticonvulsant effects of fisetin on adult zebrafish.
View Article and Find Full Text PDFUncovering the unique characteristics of different groups of 5-HTR ligands with reference to their interaction with the target protein.
Pharmacol Rep
October 2024
Maj Institute of Pharmacology Polish Academy of Sciences, Smętna 12, 31-343, Kraków, Poland.
Background: The serotonin 5-HT receptor has attracted much more research attention, due to the therapeutic potential of its ligands being increasingly recognized, and the possibilities that lie ahead of these findings. There is a growing body of evidence indicating that these ligands have procognitive, pro-social, and anti-depressant properties, which offers new avenues for the development of treatments that could address socially important conditions related to the malfunctioning of the central nervous system. The aim of our study was to unravel the molecular determinants for 5-HTR ligands that govern their activity towards the receptor.
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