Distance based and bond additive topological indices of certain repurposed antiviral drug compounds tested for treating COVID-19

The entire world is struggling to control the spread of coronavirus (COVID-19) as there are no proper drugs for treating the disease. Under clinical trials, some of the repurposed antiviral drugs have been applied to COVID-19 patients and reported the efficacy of the drugs with the diverse inferences. Molecular topology has been developed in recent years as an influential approach for drug design and discovery in which molecules that are structurally related show similar pharmacological properties. It permits a purely mathematical description of the molecular structure so that in the development of identification of new drugs can be found through adequate topological indices. In this paper, we study the structural properties of the several antiviral drugs such as chloroquine, hydroxychloroquine, lopinavir, ritonavir, remdesivir, theaflavin, nafamostat, camostat, umifenovir and bevacizumab by considering the distance and bond measures of chemical compounds. Our quantitative values of the topological indices are extremely useful in the recent development of designing new drugs for COVID-19.

Automated summary

The world is facing challenges in controlling the spread of COVID-19 due to the lack of proper drugs for treatment. Utilizing molecular topology has become an important approach for drug design, where structurally related molecules show similar pharmacological properties, aiding in the identification of new drugs. This study investigates the structural properties of various antiviral drugs and their topological indices, providing valuable insights for the development of new drugs for COVID-19.