PredictONCO

PredictONCO predicts the effects of somatic and missense mutations on protein sequence, structure, stability, function, and drug binding to support precision oncology decision-making.

Key Features:

• Mutation Impact Analysis: Assesses how specific mutations affect protein sequential and structural properties, evaluating impacts on protein stability and function to infer variant pathogenicity.
• Virtual Screening for Inhibitors: Employs virtual screening techniques to identify potential therapeutic inhibitors and to explore drug repurposing using FDA/EMA-approved drugs.
• Binding Affinity Calculations: Calculates binding affinities of approved drugs with wild-type and mutant proteins to inform treatment selection.
• Extensive Coverage: Covers 44 common oncological targets.
• Validation and Reliability: Predictions were confirmed against 108 clinically validated mutations.

Scientific Applications:

• Missense Mutation Analysis: Applied to missense mutations including K22A in cyclin-dependent kinase 4 (identified in melanoma), E1197K in anaplastic lymphoma kinase 4 (identified in lung carcinoma), and V765A in epidermal growth factor receptor (in a patient with congenital mismatch repair deficiency), increasing confidence in variant pathogenicity and suggesting effective inhibitors.

Methodology:

Integrates predictive algorithms and computational tools with data from established databases to perform protein stability and function analysis, virtual screening for inhibitors, and binding affinity calculations.