In silico exploration of anticancer plant phytochemicals for EGFR-targeted lung cancer therapy.

ABSTRACT: Mutations in the epidermal growth factor receptor (EGFR), particularly in the tyrosine kinase domain such as exon 19 deletions and the L858R point mutation, play a critical role in the development of non-small cell lung cancer (NSCLC). EGFR is a well-established therapeutic target in the management of NSCLC. In this study, we targeted the mutated EGFR kinase domain (L858R) using its crystal structure (PDB ID: 2EB3) to design EGFR tyrosine kinase inhibitors. We curated a library of 687 phytoconstituents from four anticancer plants (Camellia sinensis, Curcuma longa, Ginkgo biloba, and Vitis vinifera) using the IMPPAT database. Kaempferol, morin, and isorhamnetin, all from Ginkgo biloba, emerged as promising candidates. Drug-likeness and ADMET analyses were performed to evaluate the pharmacok

SUBMITTER: Dipa CD 

PROVIDER: S-EPMC12311132 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature