Determination of antiplasmodial activity and binding affinity of curcumin and demethoxycurcumin towards PfTrxR

作者：Munigunti Ranjith; Gathiaka Symon; Acevedo Orlando; Sahu Rajnish; Tekwani Babu; Calderon Angela I^*

来源：Natural Product Research, 2014, 28(6): 359-364.

DOI：10.1080/14786419.2013.866112

• molecular modelling
• liquid chromatography-mass spectrometry-based assays
• Plasmodium falciparum thioredoxin reductase (PfTrxR)

In our study, the inhibitory activity of curcuminoids towards Plasmodium falciparum thioredoxin reductase (PfTrxR) was determined using LC-MS-based functional assay and showed that only demethoxycurcumin (DMC) inhibited PfTrxR (IC50: 2 mu M). In silico molecular modelling was used to ascertain and further confirm that the binding affinities of curcumin and DMC are towards the dimer interface of PfTrxR. The in vitro antiplasmodial activities of curcumin and DMC were evaluated and shown to be active against chloroquine (CQ)-sensitive (D6 clone) and moderately active against CQ-resistant (W2 clone) strains of Plasmodium falciparum while no cytotoxicity was observed against Vero cells.

• 出版日期2014-3-19