Chemistry and Selective Tumor Cell Growth Inhibitory Activity of Polyketides from the South China Sea Sponge Plakortis sp

Simplextone E ( ), a new metabolite of polyketide origin, was isolated with eight known analogues ( - ) from the South China Sea sponge sp. The relative configuration of the new compound was elucidated by a detailed analysis of the spectroscopic data and quantum mechanical calculation of NMR chemical shifts, aided by the newly reported DP4+ approach. Its absolute configuration was determined by the TDDFT/ECD calculation. Simplextone E ( ) is proven to be one of the isomers of simplextone D. The absolute configuration at C-8 in alkyl chain of plakortone Q ( ) was also assigned based on the NMR calculation. In the preliminary in vitro bioassay, compounds and showed a selective growth inhibitory activity against HCT-116 human colon cancer cells with IC values of 8.3 ± 2.4 and 8.4 ± 2.3 μM, corresponding to that of the positive control, adriamycin (IC 4.1 μM). The two compounds also showed selective activities towards MCF-7 human breast cancer and K562 human erythroleukemia cells while compound only displayed weak activity against K562 cells.