On Eccentricity-Based Topological Indices Study of a Class of Porphyrin-Cored Dendrimers

Biomolecules. 2018 Aug 7;8(3):71. doi: 10.3390/biom8030071.

Abstract

It is revealed from the previous studies that there is a strong relation between the chemical characteristic of a chemical compound and its molecular structure. Topological indices defined on the molecular structure of biomolecules can help to gain a better understanding of their physical features and biological activities. Eccentricity connectivity indices are distance-based molecular structure descriptors that have been used for the mathematical modeling of biological activities of diverse nature. As the porphyrin has photofunctional properties, such as a large absorption cross-section, fluorescence emission, and photosensitizing properties, due to these properties, porphyrin dendrimers can be used as photofunctional nanodevices. In this paper, we compute the exact formulae of different versions of eccentric connectivity index and their corresponding polynomials for a class of porphyrin-cored dendrimers. The results obtained can be used in computer-aided molecular design methods applied to pharmaceutical engineering.

Keywords: augmented eccentric connectivity index; eccentric connectivity index; porphyrin-cored dendrimers; total eccentric connectivity index.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Dendrimers / chemistry*
  • Models, Molecular*
  • Molecular Conformation
  • Porphyrins / chemistry*

Substances

  • Dendrimers
  • Porphyrins