M-polynomial and topological indices for the anti-tuberculosis drugs

Abstract

Tuberculosis (TB) is one of the deadliest infectious diseases which is caused by the Mycobacterium tuberculosis. A group of first line anti-TB drugs namely isoniazid, rifampicin, pyrazinamide and ethambutol have been accepted for the treatment of drug susceptible tuberculosis. A topological index is a molecular structure descriptor which is a numerical value associated with chemical constitution for correlation of a chemical structure with its properties. The aim of this work is to investigate some degree-based topological indices for the above-mentioned anti-TB drugs using a polynomial approach. The molecular graphs of these anti-TB drugs structures were used to derive the M-Polynomials and then the derived formulas were used to calculate topological indices of the respective structures. This research could facilitate the design of new medicines against these pathogenic bacteria.

QSPR analysis of distance-based structural indices for drug compounds in tuberculosis treatment

“…Numerous degree-based indices for the TB drugs were computed with QSPR analysis in [29] and computation of polynomials in [30] , [31] . On the other side, a lot of research has been devoted to COVID-19 drugs by considering different graph theoretical parameters induced by degree and its variations [32] , [33] , [34] , [35] and for cancer drugs [36] , [37] .…”