BACKGROUNDRetinoblastoma (RB) is a pediatric ocular malignancy with a high prevalence of advanced-stage presentation in developing countries, often resulting in CNS metastasis. Standard diagnostic tools, such as imaging techniques and cerebrospinal fluid (CSF) cytology, have limitations in detecting minimal tumor dissemination. GD2 synthase, a key enzyme that controls ganglioside synthesis, has been proposed as a promising marker for tumor dissemination in various cancers but its relevance in RB remains unexplored. This study evaluates GD2 synthase expression in RB tumors and CSF samples to assess its association with poor prognosis.METHODS AND RESULTSThe expression of GD2 synthase was initially evaluated in the RB tumors (n = 7) and control neural retina (n = 7) using RT-qPCR. Subsequently, RB patient CSF samples (n = 30) were collected and RNA isolation was done using Trizol-choloroform method. The GD2 synthase copy number were determined using absolute quantification and clinically correlated. GD2 synthase showed significant upregulation in RB tumors compared to neural retina (p value = 0.020). Interestingly, a significant positive correlation was observed between increased GD2 synthase copy number in patient CSF samples with invasive features (p value = 0.023).CONCLUSIONSThe present study suggests that RB patients with elevated GD2 synthase expression are at higher risk of tumor invasion and poor prognosis. Integrating the analysis of GD2 synthase expression with routine cytological examination could improve overall disease management.

01 Jul 2025·Inorganic Chemistry Communications

Fabrication and evaluation of CeO2:Er thin films by spray pyrolysis for enhanced NH3 sensing applications

Author: Mohan, Pandurangan ; Shkir, Mohd. ; Farahim, Farha ; Vinoth, S. ; Balaji, R.

This study explores the synthesis and characterization of CeO₂:Er (0, 1, 2, 3, 4, & 5 wt %) thin films prepared using the nebulizer spray pyrolysis (NSP) method, focusing on their application in ammonia (NH₃) sensing.The findings reveal that the 4 wt % CeO₂:Er thin film demonstrated the most favorable properties, including the largest crystallite size of 46 nm, uniform particle size distribution, and a reduced optical bandgap of 3.10 eV.These enhancements are attributed to the incorporation of Er, which introduces defects and increases oxygen vacancies within the host lattice, thereby improving its sensing performance.The gas-sensing anal. of the 4 wt % CeO₂:Er thin film showed exceptional results, with a gas response of 251, a rapid response time of 12.2 s, and a recovery time of 6.4 s seconds while detecting NH₃ at room temperatureMoreover, the 4 wt % CeO₂:Er thin film sensor showed excellent selectivity towards NH₃, and stability which underscore its suitability for effective room-temperature com. gas sensors, offering a combination of structural and functional properties optimized for environmental and industrial applications.

01 Jul 2025·Journal of Molecular Graphics and Modelling

Designing novel potent oxindole derivatives as VEGFR2 inhibitors for cancer therapy: Computational insights from molecular docking, drug-likeness, DFT, and structural dynamics studies

Article

Author: Perinbaraj, Sowmiya ; Girija, Konda Reddy ; Jayaraman, Manikandan ; Jeyaraman, Jeyakanthan

Oxindole is a γ-lactam featuring a heterocyclic core, combining pyrrole and benzene rings with a carbonyl group at the second position. This scaffold is present in numerous bioactive compounds, both natural and synthetic, and has emerged as a privileged pharmacophore in medicinal chemistry due to its broad biological activity. Substitution at the 3-position of the 2-oxindole structure has been shown to enhance potency and selectivity, especially in anticancer drug development. Breast cancer, a prevalent and challenging disease affecting millions of women worldwide, underscores an urgent need for more effective treatments. Current therapies often exhibit limited efficacy, significant side effects, and resistance issues, highlighting the demand for novel drugs with improved safety profiles. This study focuses on vascular endothelial growth factor receptor-2 (VEGFR-2), an essential regulator of tumor angiogenesis, as a potential target for breast cancer therapy. Through molecular docking-based virtual screening of 360 designed oxindole derivatives, three compounds (BIATAM, CIHTAM, and IATAM) were identified as potential candidates, each demonstrating high docking scores (>7 kcal/mol) and favorable interactions, including hydrogen bonding, hydrophobic contacts, and stacking. Among these, BIATAM emerged as the lead compound due to its superior docking performance, favorable pharmacokinetic profiles, and compliance with Lipinski's Rule of Five. Density functional theory (DFT) calculations confirmed its chemical stability, while molecular dynamics simulations (MDS) revealed high structural stability. Principal component-based free energy landscape (FEL) analysis highlighted limited conformational flexibility, and MM/PBSA-based binding energy calculations reinforced its strong affinity within the VEGFR-2 binding pocket. These comprehensive computational findings suggest that BIATAM holds promising potential as a novel therapeutic option for treating breast cancer.

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