Topological Indices of Some Chemical Structures Applied for the Treatment of COVID-19 Patients

Abstract

The novel coronavirus disease 2019 (COVID-19) emerged in Wuhan, China, and has spread rapidly to nearly every part of the world. Unfortunately, no drug or vaccine has been accepted for the treatment of this pandemic. Researchers have established the efficacy of some existing antiviral drugs to control COVID-19 in vitro. Some of them are remdesivir (GS-5734), chloroquine, hydroxychloroquine, theaflavin. Topological indices are mathematical interpretations of a molecule generated by an algorithm implemented to a given molecular representation. Topological indices are used to model different physicochemical properties and biological activities of chemical compounds. In this work, some degree-based and neighborhood degree sum-based topological indices are investigated for the aforesaid antiviral drugs using polynomial approach. The results obtained can aid in the design of new medicine for the treatment of COVID-19.

MSC (2010):

• Primary: 05C35
• Secondary: 05C07
• 05C40

Keywords:

• Chloroquine
• COVID-19
• hydroxychloroquine
• M-polynomial
• molecular graph
• remdesivir (GS-5734)
• theaflavin
• topological index

Disclosure statement

There are no conflicts of interest.

Additional information

Funding

This work was supported by Department of Science and Technology (DST), Government of India (INSPIRE Fellowship).