The Second Hyper-Zagreb Index and Coindex of Chemical Nano-structures in Drugs

Abstract The various dendrimer nanoparticles have properties like multivalency, controlled size, and surface functionality that make them promising nanocarriers for targeted drug delivery and other applications in pharmaceutical sciences. The precise tunability of dendrimers is an advantage over other nanoparticles. The topological descriptors can be used to predict the physicochemical properties of dendrimers and optimize their branching pattern for specific applications. The second Hyper-Zagreb index and coindex were computed for various chemical structures, including dendrimers, to facilitate the correlation between their structure and biological activity. In this study, the second Hyper-Zagreb index and coindex were computed for various chemical structures, such as the molecular graph of poly(propyl) ether imine dendrimer P ET IM nanostar dendrimer (D3[p]), Polypropylenimine octaamine dendrimer (NS1[p]) and (NS2[p]), Polymer dendrimer (NS3[p]) and (NS5[p]), Fullerene dendrimer (NS4[p]), and other classes of dendrimers.