A Study of Drugs Administered for Medication of COVID-19 and Mucormycosis using KCD Polynomials and Indices

Abstract

The current study computes  (Karnatak College Dharwad) indices for the drugs used to treat COVID-19 using  polynomials through edge partition technique for considered molecular structures of ivermectin, remdesivir and amphotericin B. Additionally, attention is focused on QSPR/QSAR (quantitative structure property/activity relationship) analysis of these and other drugs to investigate the correlation of their physicochemical properties using degree based topological indices. The conducted study reveals that the considered topological indices show strong positive correlation with the physicochemical properties of analysed drugs used to treat COVID-19 and mucormycosis. The appealing result is the performance of Randić index for mild disease category and black fungus disease, along with first  index for moderate/severe disease category showing highest average correlation values for physicochemical properties of these drugs.