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Molecular modeling calculations may usually provide a molecular basis for the understanding of both the impairment of DNA by its binding with the studied complexes and the ability of these compounds to transportation through serum albumin proteins. This study can provide information for the elucidation of the mechanism of action of the compounds in a molecular level.With the rise of two-dimensional nanomaterials in medicine, finding suitable materials has become our top priority. Since the first report of antimonene in 2015,