Abstract
The study aims to explore whether drugs (Bentaluron, Ethoxazolamide, Lubeluzole, Pramipexole, Probenzole, Riluzole, Viozan and Zopolrestat) that were originally developed for specific indications have the capability to interact with DNA sequences. If these drugs exhibit binding affinity to the studied DNA sequences, it suggests that they may have additional therapeutic applications beyond their original intended uses. Molecular docking is a computational technique used to predict the binding affinity and binding modes of molecules, such as drugs, to biological macromolecules, here DNA. In this study, docking is employed to simulate the interactions between the drugs with the two different oligonucleotides. The observation that these drugs bind differentially to various DNA duplexes suggests that their interactions with DNA are sequence-specific. This finding could be significant for designing drugs that target specific DNA sequences associated with diseases. The other functional possibilities of known drugs with DNA recognitions might be helpful in drug repurposing purposes with the findings of present study.
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