On topological indices and QSPR analysis of some drugs used for treating Coronavirus patients
DOI:
https://doi.org/10.46481/asr.2024.3.2.80Keywords:
Energy, Eigenvalues, Molecular structures, QSPRAbstract
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.
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Copyright (c) 2024 Hassan Ibrahim, Deborah Abolape Akwu, Reza Sharafdini
This work is licensed under a Creative Commons Attribution 4.0 International License.
