Identification and Validation of Key Biomarkers in the Proximal Aqueous Humor Outflow Pathway

Current Issues in Molecular Biology, Journal Year: 2025, Volume and Issue: 47(3), P. 147 - 147

Published: Feb. 25, 2025

Glaucoma is a leading cause of irreversible blindness, with elevated intraocular pressure (IOP) as the most important risk factor. The trabecular meshwork (TM) and Schlemm’s canal are main components proximal aqueous humor outflow pathway. Their dysfunction major contributor to IOP elevation. This study aims identify validate key biomarkers for TM endothelial (SCE) cells. A Microarray was performed on characterized human SCE cells analyze their transcriptome profiling. Differentially expressed genes (DEGs) were identified cross-referenced published single-cell RNA sequencing (scRNA-Seq) datasets ensure cell-specific relevance. Further validation using qPCR re-confirmed scRNA-seq datasets. One-way ANOVA used statistical analysis, p < 0.05 considered significant. revealed 341 DEGs, enriched in metabolic signaling pathways adhesion, immune, morphogenesis-related processes. Cross-referencing scRNA-Seq data refined list candidate biomarkers, confirmed significant gene expression differences between CTTNBP2 MGARP cell markers. JAM2, PODXL, IFI27 new biomarkers. validated offer insights into glaucoma pathophysiology lay groundwork targeted therapies.

Language: Английский

GNINA 1.3: the next increment in molecular docking with deep learning

Journal of Cheminformatics, Journal Year: 2025, Volume and Issue: 17(1)

Published: March 2, 2025

Abstract Computer-aided drug design has the potential to significantly reduce astronomical costs of development, and molecular docking plays a prominent role in this process. Molecular is an silico technique that predicts bound 3D conformations two molecules, necessary step for other structure-based methods. Here, we describe version 1.3 open-source software Gnina . This release updates underlying deep learning framework PyTorch, resulting more computationally efficient paving way seamless integration methods into pipeline. We retrained our CNN scoring functions on updated CrossDocked2020 v1.3 dataset introduce knowledge-distilled facilitate high-throughput virtual screening with Furthermore, add functionality covalent docking, where atom ligand covalently receptor. update expands scope further positions as user-friendly, framework. available at https://github.com/gnina/gnina Scientific contributions : GNINA open source tool enhanced support models effective screening.

Language: Английский

TLR4 deficiency does not alter glaucomatous progression in a mouse model of chronic glaucoma

Scientific Reports, Journal Year: 2025, Volume and Issue: 15(1)

Published: May 15, 2025

Language: Английский