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Mar. Drugs 2017, 15(5), 129; doi:10.3390/md15050129

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

Research Center for Marine Drugs, School of Pharmacy, Second Military Medical University, 325 Guo-He Road, Shanghai 200433, China
Dipartimento di Farmacia, Universita’ di Salerno, Via Giovanni Paolo II 132, 84084 Fisciano (SA), Italy
Science and Research Laboratory, Longhua Hosptial, Shanghai University of Traditional Chinese Medicine, 725 South Wanping Road, Shanghai 200032, China
These authors contributed equally to this work.
Author to whom correspondence should be addressed.
Academic Editors: Yu-Dong Zhou and Dale G. Nagle
Received: 1 March 2017 / Revised: 17 April 2017 / Accepted: 28 April 2017 / Published: 3 May 2017
(This article belongs to the Special Issue Marine Drugs as Antitumour Agents 2017)
View Full-Text   |   Download PDF [3148 KB, uploaded 3 May 2017]   |  


Simplextone E (1), a new metabolite of polyketide origin, was isolated with eight known analogues (29) from the South China Sea sponge Plakortis 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 (1) is proven to be one of the isomers of simplextone D. The absolute configuration at C-8 in alkyl chain of plakortone Q (2) was also assigned based on the NMR calculation. In the preliminary in vitro bioassay, compounds 6 and 7 showed a selective growth inhibitory activity against HCT-116 human colon cancer cells with IC50 values of 8.3 ± 2.4 and 8.4 ± 2.3 μM, corresponding to that of the positive control, adriamycin (IC50 4.1 μM). The two compounds also showed selective activities towards MCF-7 human breast cancer and K562 human erythroleukemia cells while compound 3 only displayed weak activity against K562 cells. View Full-Text
Keywords: polyketide; sponge; Plakortis sp.; quantum mechanical calculation; selective activity polyketide; sponge; Plakortis sp.; quantum mechanical calculation; selective activity

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Li, J.; Li, C.; Riccio, R.; Lauro, G.; Bifulco, G.; Li, T.-J.; Tang, H.; Zhuang, C.-L.; Ma, H.; Sun, P.; Zhang, W. Chemistry and Selective Tumor Cell Growth Inhibitory Activity of Polyketides from the South China Sea Sponge Plakortis sp.. Mar. Drugs 2017, 15, 129.

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