On topological indices and QSPR analysis of some drugs used for treating Coronavirus patients

Hassan Ibrahim; Deborah Abolape Akwu; Reza Sharafdini

doi:10.46481/asr.2024.3.2.80

Authors

Hassan Ibrahim
[email protected]

Department of Mathematics, Federal University of Lafia, Makurdi Road Gandu, Lafia, PMB 146, Nigeria
Deborah Abolape Akwu
Department of Mathematics, Joseph Sarwuan Tarka University, North Bank, Makurdi, PMB 2373, Nigeria
Reza Sharafdini
Department of Mathematics, Persian Gulf University, Bushehr, Iran

Keywords:

Energy, Eigenvalues, Molecular structures, QSPR

Abstract

A topological index is a real number obtained from the molecular graph structure. It can predict the physicochemical and biological properties of many anticoronavirus drugs. In this article, the topological index of some drugs for the treatment of coronavirus was computed using the Wiener-Hosoya eigenvalues of the molecular structure of hydroxychloroquine, chloroquine, camostat, nafamostat, remdesivir, and lopinavir compounds, and the Quantitative Structure Property Relationship (QSPR) study of some properties: Boiling point, Molar weight, Flash point and Enthalpy were investigated. It was observed that the regression model value r is more than 0.6 and p value shows less than 0.05.

Dimensions

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