In Silico Screening of Plant Phytochemicals Against EGFR L858R

Non-small cell lung cancer is strongly linked to mutations in the EGFR gene, and one of the most common changes is the L858R mutation. This mutation alters the receptor in a way that promotes uncontrolled cell growth and reduces the effectiveness of many existing therapies. Because of this, researchers continue to look for new molecules that can interact with this altered target.

A 2025 study focused on plant-derived phytochemicals and used computer-based screening to evaluate their potential against the EGFR L858R mutant kinase. The team gathered 687 compounds from four well-known medicinal plants: Curcuma longa, Camellia sinensis, Ginkgo biloba and Vitis vinifera. Using molecular docking followed by ADMET analysis, they predicted which compounds might bind well and also behave like drug candidates.

Three flavonoids stood out. Kaempferol, morin and isorhamnetin showed strong binding predictions and favorable drug-likeness profiles, with all three sourced mainly from Ginkgo biloba. The docking analysis suggested that these molecules could fit into the ATP-binding region of the mutant EGFR structure and form interactions that may help block its cancer-promoting action.

Although the work is entirely in silico, it highlights plants as a promising reservoir for new anticancer leads and shows how digital tools can speed early drug discovery. Further laboratory and animal studies are needed to confirm biological activity.

MBH/AB

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Very informative

This study is a great reminder of how powerful plant-based molecules can be, especially when paired with modern computational tools. Kaempferol, morin, and isorhamnetin look like exciting early leads, and itโ€™ll be interesting to see how they perform in real biological studies going forward.

This is a fascinating summary of how modern computational tools are transforming early cancer drug discovery. The finding that plant-derived flavonoids like kaempferol, morin and isorhamnetin show strong predicted activity against the EGFR L858R mutant is especially exciting. Curious to see how these candidates perform in future lab and in vivo studies.