In silico screening of alkaloids as potential inhibitors of epidermal growth factor receptor

The epidermal growth factor receptor (EGFR) belongs to the HER/erbB tyrosine kinase (RTK) family, serving as a crucial target for cancer treatment. Anti-EGFR drugs, used primary treatment patients with advanced EGFR gene mutations such T790M, C797S, and L858R, have shown greater efficacy safety compared standard chemotherapy. This study aimed screen alkaloid compounds anticancer activity, extracted from Selleckchem database that inhibit enzyme activity. structure of was retrieved Protein Data Bank, whilst were gathered alkaloids library within database, their structures downloaded PubChem database. Molecular docking performed using Autodock Vina software. Lipinski’s rule five employed distinguish between drug-like non-drug-like properties. pharmacokinetic parameters potential evaluated pkCSM tool. Our research indicates amongst screened alkaloids, four - peiminine, sanguinarine chloride, dauricine, irinotecan are most promising inhibitors lung cancer. These exhibit high binding affinity active sites EGFR, thus inhibiting its All aforementioned adhere possess properties (absorption, distribution, metabolism, excretion, toxicity ADMET) render them suitable development into drugs.