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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| Format: | Article |
| Language: | English |
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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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| _version_ | 1849421027692511232 |
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| author | Hassan Ibrahim Deborah Abolape Akwu Reza Sharafdini |
| author_facet | Hassan Ibrahim Deborah Abolape Akwu Reza Sharafdini |
| author_sort | Hassan Ibrahim |
| collection | DOAJ |
| description | 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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| format | Article |
| id | doaj-art-a2163512ebfc41fe8562c0212ea9237b |
| institution | Kabale University |
| issn | 2955-1625 2955-1617 |
| language | English |
| publishDate | 2024-05-01 |
| publisher | Nigerian Society of Physical Sciences |
| record_format | Article |
| series | African Scientific Reports |
| spelling | doaj-art-a2163512ebfc41fe8562c0212ea9237b2025-08-20T03:31:34ZengNigerian Society of Physical SciencesAfrican Scientific Reports2955-16252955-16172024-05-013210.46481/asr.2024.3.2.80On topological indices and QSPR analysis of some drugs used for treating Coronavirus patientsHassan IbrahimDeborah Abolape AkwuReza SharafdiniA 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. https://asr.nsps.org.ng/index.php/asr/article/view/80Energy, Eigenvalues, Molecular structures, QSPR |
| spellingShingle | Hassan Ibrahim Deborah Abolape Akwu Reza Sharafdini On topological indices and QSPR analysis of some drugs used for treating Coronavirus patients African Scientific Reports Energy, Eigenvalues, Molecular structures, QSPR |
| title | On topological indices and QSPR analysis of some drugs used for treating Coronavirus patients |
| title_full | On topological indices and QSPR analysis of some drugs used for treating Coronavirus patients |
| title_fullStr | On topological indices and QSPR analysis of some drugs used for treating Coronavirus patients |
| title_full_unstemmed | On topological indices and QSPR analysis of some drugs used for treating Coronavirus patients |
| title_short | On topological indices and QSPR analysis of some drugs used for treating Coronavirus patients |
| title_sort | on topological indices and qspr analysis of some drugs used for treating coronavirus patients |
| topic | Energy, Eigenvalues, Molecular structures, QSPR |
| url | https://asr.nsps.org.ng/index.php/asr/article/view/80 |
| work_keys_str_mv | AT hassanibrahim ontopologicalindicesandqspranalysisofsomedrugsusedfortreatingcoronaviruspatients AT deborahabolapeakwu ontopologicalindicesandqspranalysisofsomedrugsusedfortreatingcoronaviruspatients AT rezasharafdini ontopologicalindicesandqspranalysisofsomedrugsusedfortreatingcoronaviruspatients |