In this research, a fixed concentration (3 wt%) of Ag/PAA and PAA/Ag doped graphene quantum dots (GQDs) were synthesized using the co-precipitation technique. A variety of characterization techniques were employed to synthesize samples to investigate their optical, morphological, structural, and compositional analyses, antimicrobial efficacy, and dye degradation potential with molecular docking analysis. GQDs have high solubility, narrow band gaps, and are suitable for electron acceptors and donors but show less adsorption and catalytic behavior. Incorporating polyacrylic acid (PAA) into GQDs increases the catalytic and antibacterial activities due to the carboxylic group (-COOH). Furthermore, introducing silver (Ag) increased the degradation of dye and microbes as it had a high surface-to-volume ratio. In addition, molecular docking studies were used to decipher the mechanism underlying the bactericidal action of silver and polyacrylic acid-doped graphene quantum dots and revealed inhibition of β-lactamase and DNA gyrase.
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http://dx.doi.org/10.1039/d3ra04741e | DOI Listing |
Acta Pharmacol Sin
January 2025
Jiangsu Province Key Laboratory of Anesthesiology, Xuzhou Medical University, Xuzhou, 221004, China.
Patients suffering epilepsy caused by the gain-of-function mutants of the hKCNT1 potassium channels are drug refractory. In this study, we cloned a novel human KCNT1B channel isoform using the brain cDNA library and conducted patch-clamp and molecular docking analyses to characterize the pharmacological properties of the hKCNT1B channel using thirteen drugs. Among cinchona alkaloids, we found that hydroquinine exerted the strongest blocking effect on the hKCNT1B channel, especially the F313L mutant.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Applied Chemistry, Faculty of Engineering, University of Miyazaki, 1-1 Nishi, Gakuen-Kibanadai, Miyazaki, 889-2192, Japan.
The ligand-docking behavior of hevein, the major latex protein from the rubber tree Hevea brasiliensis (Euphorbiaceae), has been investigated by the unguided molecular dynamics (MD) simulation method. An oligosaccharide molecule, initially placed in an arbitrary position, was allowed to move around hevein for a prolonged simulation time, on the order of microseconds, with the expectation of spontaneous ligand docking of the oligosaccharide molecule to the binding site of hevein. In the binary solution system consisting of a hevein molecule and a chito-trisaccharide (GlcNAc) molecule, three out of the six separate simulation runs successfully reproduced the complex structure of the observed binding from.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Pharmacology and Toxicology, College of Pharmacy, King Saud University, P.O. Box 2455, 11451, Riyadh, Saudi Arabia.
Polycyclic aromatic compounds (PACs) are pervasive environmental contaminants derived from diverse sources including pyrogenic (e.g., combustion processes), petrogenic (e.
View Article and Find Full Text PDFZ Naturforsch C J Biosci
January 2025
Armauer Hansen Research Institute, P.O. Box 1005, Addis Ababa, Ethiopia.
, known as "Dhumuugaa" in Afan Oromo and "Sensel" or "Smiza" in Amharic, is traditionally used to treat ailments such as scabies, fever, asthma, diarrhea, malaria, and more. This study explored the chemical composition and biological activity of its extracts and isolated compounds. The essential oils were extracted using the hydrodistillation method, and their chemical composition was evaluated using GC-MS.
View Article and Find Full Text PDFJ Ethnopharmacol
January 2025
Department of Pharmacology of Chinese Materia Medica, Institution of Chinese Integrative Medicine, Hebei Medical University, Research Unit of Digestive Tract Microecosystem Pharmacology and Toxicology, Chinese Academy of Medical Sciences, The Key Laboratory of Neural and Vascular Biology, Ministry of Education, Shijiazhuang, Hebei Province 050017, China.
Ethnopharmacological Relevance: Cepharanthine (CEP) is an alkaloid extracted from Stephania cephalantha Hayata, a traditional Chinese medicine (TCM) renowned for its heatclearing and dehumidifying properties. For centuries, Stephania cephalantha Hayata has been employed in the treatment of a wide range of diseases, including pain, edema, inflammation, and fever.
Aim Of The Study: Our research aims to investigate the role and mechanism of Cepharanthine in ameliorating uric acid (UA) induced neuroinflammatory responses.
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