Abstract
Platinum compounds are anti-cancer drugs and can bind to canonical purine bases, mainly guanine, found within double helical DNA. Platinum compounds can be transferred directly to pathologically altered sites in a specific and site-oriented manner by nanocarriers as potential nanocarriers for carboplatin. Two types of nanostructures were used as potential nanocarriers for carboplatin, the first were functionalized C60 fullerene molecules and the second were rhombellanes. The analyzed nanostructures show considerable symmetry, which affects the affinity of the studied nanocarriers and ligands. Thus symmetry of nanostructures affects the distribution of binding groups on their surface. After the docking procedure, analysis of structural properties revealed many interesting features. In all described cases, binding affinities of complexes of platinum compounds with functionalized fullerene C60 are higher compared with affinities of complexes of platinum compounds with rhombellane structures. All platinum compounds easily create complexes with functionalized fullerene C60, CID_16156307, and at the same time show the highest binding affinity. The binding affinities of lobaplatin and heptaplatin are higher compared with oxaliplatin and nedaplatin. The high value of binding affinity and equilibrium constant K is correlated with creation of strong and medium hydrogen bonds or is correlated with forming a hydrogen bond network. The performed investigations enabled finding nanocarriers for lobaplatin, heptaplatin, oxaliplatin and nedaplatin molecules.
Highlights
The anticancer activity of cisplatin was discovered for the first time in 1960 by ProfessorBarnett Rosenberg at the University of Michigan [1,2], it was Carozzi who showed that cisplatin has anti-cancer effects [3]
Because platinum compounds were used in the study, a modification of parameters was needed; this was obtained from the Autodock molecules, were considered in the study
Among Rbl homeomorphs, lobaplatin has the highest affinity for 308a4 nanostructure with an affinity value of −4.66 kcal/mol, as well as for 308b4 nanostructure with an affinity value of
Summary
The anticancer activity of cisplatin was discovered for the first time in 1960 by ProfessorBarnett Rosenberg at the University of Michigan [1,2], it was Carozzi who showed that cisplatin has anti-cancer effects [3]. After Rosenberg’s first work, several thousand platinum compounds were found, and some of them were synthesized, namely oxaliplatin, nedaplatin, lobaplatin, heptaplatin and carboplatin [4]. This was the reason that the above compounds were chosen for the study. Platinum compounds are anti-cancer drugs and can bind to canonical purine bases, mainly guanine, found within double helical DNA. This in turn causes DNA damage and apoptosis in cancer cells [5,6,7]. The first of them were functionalized C60 fullerene molecules, containing numerous active groups on their surface, which significantly increase binding properties of such nanosystems; and the second group of structures was rhombellanes
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