Synthesis, cytotoxic evaluation, and molecular docking of novel zerumbone oxime esters and azazerumbone derivatives

Abstract

Available online A series of thirteen novel zerumbone oxime esters and five new azazerumbone derivatives were successfully synthesized. Most of these derivatives exhibited significant cytotoxic activity against four human tumor cell lines (HepG2, A549, HL-60, and AGS). Among them, three derivatives (3i, 3j, and 3k) demonstrated strong cytotoxic effects against all tested cell lines, with IC₅₀ values ranging from 0.41 ± 0.05 to 3.88 ± 0.19 μg/mL, displaying potency comparable to that of zerumbone and ellipticine. Docking results revealed that one compound (3i) showed the highest binding affinity for NF-κB p65.