Usnic Acid

Usnic acid, a compound from Usneae Filum, has shown notable antitumor effects. Nevertheless, the mechanism of its anti‐NSCLC action remains incompletely elucidated. This study used metabolomics, network pharmacology, molecular docking, and dynamics simulation to investigate usnic acid's potential mechanism on NSCLC utilizing A549 cell samples. The integration of metabolomics and network pharmacology was confirmed through molecular docking and molecular dynamics simulation. Combining data‐dependent acquisition (DDA) and data‐independent acquisition (DIA) enables maximal MS/MS coverage of endogenous substances in complex biological matrices. Metabolomics based on DDA and DIA revealed 47 potential metabolites linked to usnic acid's therapeutic effects on NSCLC. Network pharmacology identified 24 targets, with key pathways including cancer, human cytomegalovirus infection, and p53 signaling. A network analysis highlighted myeloperoxidase (MPO) as a shared target, with molecular docking and dynamics simulations confirming strong binding and stability between usnic acid and MPO. This study uncovered usnic acid's molecular mechanisms in NSCLC, primarily through MPO targeting and modulation of purine metabolism. MPO inhibition attenuates oxidative stress‐driven purine catabolism, reduces uric acid‐induced inflammation, and restores metabolic homeostasis. These findings illuminate novel mechanisms of usnic acid's anticancer potential and advance mechanistic insights into traditional Chinese medicine (TCM) for clinical oncology applications.

This study investigated the bioactive potential of crude methanolic extract of Entada scandens stem through evaluation of its antioxidant, antimicrobial, and anticancer properties. The methanolic extract consists of high total phenolic content (TPC) (230.38 ± 1.83 mg GAE/g extract) and flavonoid content (TFC) (194.64 ± 1.43 mg rutinE/g extract). The extract exhibited potent antioxidant activity with low IC 50 values in the DPPH (10.83 µg/mL) and ABTS (5.70 µg/mL) assays. In addition, the FRAP assay revealed strong, concentration‐dependent ferric ion‐reducing capacity, achieving nearly 100% scavenging at ∼1000 µg/mL. Antimicrobial tests revealed selective activity against Staphylococcus aureus , Proteus mirabilis , and Shigella species, with significant biofilm inhibition observed. In vitro studies on a breast cancer cell line (MDA‐MB‐231) demonstrated cytotoxic effects (IC 50 322.3 µg/mL). In contrast, the normal cell line (HEK293) is not sensitive to the extract (IC 50 917.7 µg/mL), indicating selective anticancer activity. The HRMS profiling of the phytochemicals revealed presence of several phytochemicals, namely, quercetin, kaempferol, taxifolin, formononetin 7‐O‐glucoside, apigenin 7‐arabinoside, and usnic acid. The extract's bioactive components, characterized by high phenolic and flavonoid contents, likely contribute to its varied biological effects. These findings highlight E. scandens as a promising source for therapeutic agents targeting oxidative stress, microbial infections, and cancer, supporting further pharmacological investigation.