17th The International Symposium on Health Informatics and Bioinformatics, İstanbul, Türkiye, 18 - 20 Aralık 2024, ss.161, (Özet Bildiri)
Cerebral palsy (CP) is a group of non-progressive neurological disorders causing impaired movement and posture due to developmental anomalies or brain damage in early life. AÉecting 2–3 per 1,000 live births globally, CP displays significant clinical heterogeneity and frequent neurological comorbidities, complicating diagnosis and management. Despite advances in identifying CPassociated genes, gene-phenotype relationships remain poorly understood, posing challenges for therapy. We employed computational methodologies to analyze the structural and functional landscapes of CP-related proteins. A dataset of CP-associated protein sequences was curated, and their threedimensional structures were obtained from the Protein Data Bank (PDB) and predicted via AlphaFold2. Structural properties, including physicochemical parameters, were analyzed using ProtParam. To explore features influencing protein interactions and functions, we performed electrostatic potential mapping using APBS with PyMOL to visualize electrostatic surfaces aÉecting interactions and binding aÉinity. Hydrophobicity mapping identified hydrophobic and hydrophilic regions on protein surfaces, highlighting potential interaction interfaces. Functional insights were gained through protein-protein interaction mapping with STRING and Gene Ontology (GO) enrichment analysis to identify overrepresented biological processes and molecular functions. Our analysis revealed pronounced heterogeneity in structural and functional attributes of CP-associated proteins. Notably, higher conservation of hydrophobic residues suggested implications for protein stability and interaction networks critical in CP pathogenesis. Integration of AI-driven structural predictions with functional annotations provided deeper insights into CP's molecular mechanisms.