Abstract

The aim of this study was to introduce a prodigiosin-conjugated aptamer to attach to surface of brain cancer cells. Crystal structure of glutamate receptor and 106 nucleotide aptamers were separately interacted in NVT ensemble for duration of 50,000 ps at 310 K by Ascalaph designer software. Finally, delta intermolecular energy (Delta INME) was separately obtained for each aptamer. For confirmation of simulation data, both brain cancer cells and normal brain cells were cultured, and separately incubated with the best selected aptamers. Finally, the adsorption percent of each aptamer was measured for both kinds of cells. Prodigiosin-conjugated aptamer 8, 10, 11, 23, and 69 could attach to all epitopes with high affinity and low Delta INME. In vitro test showed that all aptamers could bind to brain cancer cells more than normal cells. Moreover, aptamer 10 had the highest adsorption to brain cancer cells and the least adsorption to normal brain cells.