From virtual screening to dynamic simulation: mechanism exploration and experimental verification of luteolin against colorectal cancer

In clinical practice, non-surgical treatments such as chemoradiotherapy and targeted therapy are widely used, yet their benefits are often offset by considerable adverse effects, high costs, and the emergence of drug resistance. These limitations motivate the search for more affordable and better-tolerated therapeutic options.

Natural bioactive compounds are often considered promising candidates because of their relatively high activity and low toxicity. Luteolin, a naturally occurring flavonoid and a major active constituent of many Chinese herbal medicines, has documented anti-inflammatory and anti-cancer properties; however, its mechanisms in CRC are not fully understood. In this study, network pharmacology was applied to identify potential anti-CRC targets of luteolin, including EGFR, AKT1, and CASP3.