On the Study of Topological Indices of Drugs against COVID-19
Bushra Nadeem, Muazzam Ali, M. Hashmi, Abdul Halim Manan, Bagh Ali, Sidra Siddiqui · Scientific Inquiry and Review · 2024
A topological index (TI) is an analytical metric of the molecular structure derived from the corresponding molecular graph. A class of viruses known as coronaviruses is responsible for human upper respiratory tract infections. Several antiviral medications currently available in the market are efficient in managing COVID-19. These include ritonavir, arbidol, theaflavin, hydroxychloroquine, chloroquine, and remdesivir (GS-5734). In this study, a set of TIs for remdesivir (GS-5734), arbidol, theaflavin, ritonavir, chloroquine, and hydroxychloroquine are computed based on their repective molecular graphs. These indices comprise Nirmala leap index, modified Nirmala leap index, first inverse Nirmala index, and second inverse Nirmala index. Additionally, the calculated outcomes are plotted to see how they are affected by the relevant parameters. The analysis shows that the Nirmala leap index shows the highest value among the studied indices, with Ritonavir leading at . Conversely, the modified Nirmala leap index shows the lowest value of for chloroquine. These findings may offer assistance in the advancement of novel COVID-19 treatment drugs.