ArticleMedical oncology (Northwood, London, England)2025
Warhead-bearing natural compounds for multi-pathway irreversible inhibition to overcome drug resistance in colorectal cancer.
Article in Medical oncology (Northwood, London, England), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Colorectal cancer (CRC) remains the second leading cause of cancer-related deaths globally, with approximately 930000 fatalities recorded in 2020. Resistance to conventional therapies continues to be a major obstacle in colorectal cancer treatment, highlighting the need for novel therapeutic strategies to enhance efficacy. This study aims to bridge this gap by exploring a multi-target inhibition approach using naturally derived electrophilic compounds, offering a potential solution to overcome drug resistance. Key CRC-covalent targets-EGFR, SRC, AKT1, HER2, and ERK2-were identified through network pharmacology and protein-protein interaction analysis. A panel of natural compounds, including ophiobolin A, deoxyelephantopin, eupalmerin acetate, curcumin, andrographolide, and syringolin A, was assessed for their inhibitory potential, benchmarking their activity against reference chemotherapeutics. Covalent docking and covalent molecular dynamics (CMD) were performed for 30 ligand-protein complexes to evaluate the binding affinities of the studied compounds. Against EGFR, curcumin displayed a competitive docking score of - 9.458 kcal/mol and ΔG
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