Effect of Hydrated and Nonhydrated Choline Chloride–Urea Deep Eutectic Solvent (Reline) on Thrombin-Binding G-quadruplex Aptamer (TBA): A Classical Molecular Dynamics Simulation Study

Guanine-rich quadruplex nucleic acid (G-DNA) sequence is highly polymorphic. The obtained structure of G-DNA is exquisitely impressible to its sequence and the chemical environment. Due to its controllable different structures, G-DNA has acquired much attention in various research areas such as nanotechnology, medicinal chemistry, and molecular biology. However, the applications of G-DNA are mainly restricted to the aqueous media, although a large number of important chemical reactions, nanodevices, etc. have also been carried out in purely water-free medium. Recently, deep eutectic solvents (DESs) such as choline–urea (1:2) eutectic mixture, namely, reline, has widely been used as a reaction medium and also water-free storage medium for biological systems like different types of nucleic acids. Hence, it is very important to figure out the effect of the deep eutectic solvent with DNA. In this research work, we have discussed the interaction between reline with guanine-rich quadruplex thrombin-binding apta...

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