Applications of Graph Topology in Manufacturing of Anti Cancer Drugs.

In chemical graph theory, a graph is used to represent a molecule by considering atoms as vertices and the covalent bonds between the atoms as edges. Topological indices are numerical parameters of a molecular graph which characterise bonding topology of a molecule and are necessarily structure invariant. It is known that the characteristics of drugs have a good correlation with their molecular structures. Drug properties are obtained by studying the molecular structure of corresponding drug. The computation of topological indices of a drug structure helps the researchers to predict the physicochemical properties and biological activities of the drug. Cancer is one of the primary causes of mortality globally, and the discovery of new anticancer drugs is the most important need in recent times. In this paper, we focused on the hyaluronic acid-paclitaxel conjugates molecular structure which is used in anticancer drugs manufacturing.