LAUSR

Abstract Creating new nanostructures as potential carriers of drugs is an important goal nowadays. Among many real or hypothetical polymeric networks, the etheric ones are very promising, in this respect. Rhombellanes are structures which after functionalization can be synthesized and next used as a real particles. They may be bound to a protein and further used in personalized medicine. On the cube rhombellane homeomorphs surface, attempts were made to deposit indolizines, as possible nano-drug complexes. Detailed analysis of structural properties after docking showed that the values of affinity of the studied indolizine ligands to the rhombellanes surface are correlated with the strength/length of hydrogen bonds formed between them. By assembling polyethylene imine (PEI) nano-gels and antibodies on nano-molecule, it is possible to examine cancer vessels by distinguish certain integrin receptors. After the docking procedure it has been proved that the best value of affinity ligand- enzyme (GOx) was shown by the PEI- C14N8. By molecular dynamics, it was found that the hydrogen bonds (HB), formed between GOX and C14N8 inside of the protein were stronger and shorter compared to those formed on the protein surface. The number and type of hydrogen bonds formed by the ligand with the active sites of the enzyme are important factors in the stabilization of the complex ligand – enzyme. Then, by placing PEI molecule and antibodies on the rhombellanes surface is a suggestion for the near future. In this respect, the etheric polymers designed at Topo Group Cluj represent a real promise for the biosciences, material science and technology.