Cisplatin (cisPt) is one of the strongest anticancer agents with proven clinical activity against\na wide range of solid tumors. Its mode of action has been linked to its ability to crosslink with the\ncanonical purine bases, primarily with guanine. Theoretical studies performed at the molecular level\nsuggest that such nonspecific interactions can also take place with many competitive compounds,\nsuch as vitamins of the B group, containing aromatic rings with lone-pair orbitals. This might be\nan indicator of reduction of the anticancer therapeutic effects of the Cisplatin drug in the presence\nof vitamins of the B group inside the cell nucleus. That is why it seems to be important to connect\nCisPt with nanostructures and in this way prevent the drug from combining with the B vitamins.\nAs a proposal for a new nanodrug, an attempt was made to implement Cispaltin (CisPt) ligand on\nfunctionalized C60 fullerenes and on a cube rhombellane homeomorphic surface. The symmetry of the\nanalyzed nanostructures is an important factor determining the mutual affinity of the tested ligand and\nnanocarriers. The behavior of Cisplatin with respect to rhombellane homeomorphs and functionalized\nfullerenes C60, in terms of their (interacting) energy, geometry and topology was studied and a detailed\nanalysis of structural properties after docking showed many interesting features.
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