On topological indices and QSPR analysis of some drugs used for treating Coronavirus patients
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 eig...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nigerian Society of Physical Sciences
2024-05-01
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| Series: | African Scientific Reports |
| Subjects: | |
| Online Access: | https://asr.nsps.org.ng/index.php/asr/article/view/80 |
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| Summary: | 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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| ISSN: | 2955-1625 2955-1617 |