AUG 10, 2026 · JOURNAL ARTICLE
Rational design, synthesis, structure–activity relationship, computational investigation, and biological evaluation of novel chalcone derivatives against non-small cell lung cancer
Main Group Chemistry
Early-phase in vitro study with computational support showing a novel chalcone derivative has selective cytotoxicity and apoptosis induction in lung cancer cells, but lacks in vivo validation, clinical data, and comparative controls needed to establish therapeutic potential.
Reported
Docking score (lead compound)−8.6 kcal/mol
Molecular dynamics simulation dur…200 ns
IC50 in A549 lung cancer cells29.03 µg/ml