Molecular docking and dynamics analysis of flavonoids from Retama monosperma with drug-resistant GIST mutations.

Gastrointestinal stromal tumors (GISTs), the most prevalent mesenchymal tumors of the gastrointestinal tract, are predominantly driven by activating mutations in receptor tyrosine kinases such as c-Kit and PDGFRα. Resistance to tyrosine kinase inhibitors (TKIs) poses a substantial therapeutic challenge, underscoring the need for novel treatments. Consequently, investigating the potential of natural compounds, specifically flavonoids from Retama monosperma, known for their diverse bioactivities, is of significant interest.

Molecular docking and simulation analysis of c-KIT and PDGFRα with phytochemicals as dual inhibitors for GIST.

Mutations in the c-KIT or PDGFRα genes primarily drive gastrointestinal stromal tumors (GISTs). While tyrosine kinase inhibitors (TKIs) such as Imatinib have improved outcomes, resistance due to secondary mutations remains a significant challenge. This study used computational methods to identify phytochemicals from Moroccan plants as dual inhibitors of c-KIT and PDGFRα.