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Sodium phytate (SP) is a biocompatible chelating agent for rare metals, possessing inherent antioxidant and antibacterial properties, while microbial lysozyme (LYSO), as an enzyme derived from organisms, possesses broad-spectrum antibacterial and antiviral effects. In this study, the combination of SP and LYSO showed inhibitory synergism, effectively enhancing the antibacterial spectrum of LYSO. The interaction dynamics between SP and LYSO were scrutinized employing techniques of multispectral and molecular docking. The results of fluorescence bursting experiments revealed that SP reduced the fluorescence intensity of LYSO in the form of static bursting and non-radiative energy transfer. The thermodynamic examination of fluorescence data revealed that the reaction occurs naturally, primarily attributed to van der Waals forces and hydrogen bonds. Moreover, studies using synchronized and three-dimensional fluorescence spectroscopy UV spectroscopy, and Fourier infrared spectroscopy have shown that SP binding influences the structure of LYSO. Molecular docking showed that SP can spontaneously bind to amino acid residues Thr151 and Arg154 of LYSO through hydrogen bonding, thus reinforcing the validity of the experimental outcomes. The research offers theoretical backing for employing SP and LYSO in inhibiting bacteria.
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http://dx.doi.org/10.1016/j.ijbiomac.2025.141758 | DOI Listing |
Arch Pharm (Weinheim)
September 2025
Chemistry Department, Faculty of Science, Ain Shams University, Cairo, Egypt.
Through applying the hybridization technique, new coumarin derivatives (2-17) were prepared with substitution at coumarin C-3 utilizing various heterocyclic derivatives, aiming to afford multi-target carbonic anhydrases (CAs) IX/XII and topoisomerase II (Topo II) inhibitors with potent antiproliferative activity. Eight different cell lines were used to evaluate the growth inhibition percentages (GI%) of cancer cells determined by coumarin analogues 1-17. Analogues 16 and 17 had the most substantial cytotoxic effects, achieving mean GI% of 86.
View Article and Find Full Text PDFMol Inform
September 2025
Department of Computational Chemistry, "Coriolan Drăgulescu" Institute of Chemistry Timișoara, Romanian Academy, Timișoara, Romania.
Docking is a structure-based cheminformatics tool broadly employed in early drug discovery. Based on the tridimensional structure of the protein target, docking is used to predict the binding interactions between the protein and a ligand, estimate the corresponding binding affinity, or perform virtual screenings (VSs) to identify new active compounds. This study introduces the ligand B-factor index (LBI), a novel computational metric for prioritizing protein-ligand complexes for docking.
View Article and Find Full Text PDFNeotrop Entomol
September 2025
Dept of Zoology, Government College Univ Lahore, Lahore, Pakistan.
The control of dengue vector mosquitoes by utilizing plant-based eco-friendly larvicides is pivotal in suppressing the spread of dengue with minimum environmental toxicity. This study aimed to evaluate the larvicidal activity of nanoliposomes containing p-cresol and Myristica fragrans Houtt. essential oil (EO) against Aedes aegypti L.
View Article and Find Full Text PDFActa Pharmacol Sin
September 2025
Department of Pulmonary and Critical Care Medicine, The First Affiliated Hospital of Soochow University, Suzhou 215006, China.
Non-small cell lung cancer (NSCLC) is an aggressive malignancy with a poor prognosis. Abnormal expression of focal adhesion kinase (FAK) is closely linked to NSCLC progression, highlighting the need for effective FAK inhibitors in NSCLC treatment. In this study we conducted high-throughput virtual screening combined with cellular assays to identify potential FAK inhibitors for NSCLC treatment.
View Article and Find Full Text PDFUrol Oncol
September 2025
Nutritional, Genes and Human Disease Laboratory, Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka, Bangladesh. Electronic address:
Background: Understanding the mutational landscape is critical for elucidating the molecular mechanisms driving cancer progression. This study aimed to profile somatic mutations in bladder cancer patients (N=7) from Bangladesh to provide insights into the genetic alterations underlying this malignancy.
Methods: We performed targeted sequencing of 50 oncogenes and tumor suppressor genes using the Ion AmpliSeq Cancer Hotspot Panel v2 on tumor and matched blood samples from seven bladder cancer patients.