Topological Indices of Novel Drugs Used in Cardiovascular Disease Treatment and Its QSPR Modeling
A topological index is a score function that changes each molecular structure to a unique real number. It aids in determining the physicochemical and biological properties of a wide range of drugs, and it more accurately reflects the theoretical properties of drugs. The task is accomplished through...
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| Format: | Article |
| Language: | English |
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Wiley
2022-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2022/9749575 |
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| author | Fozia Bashir Farooq Nadeem Ul Hassan Awan Saima Parveen Nazeran Idrees Salma Kanwal Tarig A. Abdelhaleem |
| author_facet | Fozia Bashir Farooq Nadeem Ul Hassan Awan Saima Parveen Nazeran Idrees Salma Kanwal Tarig A. Abdelhaleem |
| author_sort | Fozia Bashir Farooq |
| collection | DOAJ |
| description | A topological index is a score function that changes each molecular structure to a unique real number. It aids in determining the physicochemical and biological properties of a wide range of drugs, and it more accurately reflects the theoretical properties of drugs. The task is accomplished through the use of degree-based topological indices (TIs). Heart disease refers to a group of disorders that affect our hearts. Heart diseases include blood vessel disorders such as irregular heartbeat and heart muscle disease. In this article, Eliquis, metoprolol, valsartan, etc., and other drugs employed to treat cardiovascular disease are studied and the QSPR analysis goal will probe the mathematical relationship of properties such as (polarity, boiling point, enthalpy, etc.) and assorted descriptors associated to drug’s structure. The present study on TIs imposed on drugs was found to have a good correlation with physical properties. |
| format | Article |
| id | doaj-art-04e23f19cb9f4b0cb11332ee5e4d184a |
| institution | Kabale University |
| issn | 2090-9071 |
| language | English |
| publishDate | 2022-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-04e23f19cb9f4b0cb11332ee5e4d184a2025-02-03T06:08:44ZengWileyJournal of Chemistry2090-90712022-01-01202210.1155/2022/9749575Topological Indices of Novel Drugs Used in Cardiovascular Disease Treatment and Its QSPR ModelingFozia Bashir Farooq0Nadeem Ul Hassan Awan1Saima Parveen2Nazeran Idrees3Salma Kanwal4Tarig A. Abdelhaleem5Department of Mathematics and StatisticsDepartment of MathematicsDepartment of MathematicsDepartment of MathematicsDepartment of MathematicsDepartment of MathematicsA topological index is a score function that changes each molecular structure to a unique real number. It aids in determining the physicochemical and biological properties of a wide range of drugs, and it more accurately reflects the theoretical properties of drugs. The task is accomplished through the use of degree-based topological indices (TIs). Heart disease refers to a group of disorders that affect our hearts. Heart diseases include blood vessel disorders such as irregular heartbeat and heart muscle disease. In this article, Eliquis, metoprolol, valsartan, etc., and other drugs employed to treat cardiovascular disease are studied and the QSPR analysis goal will probe the mathematical relationship of properties such as (polarity, boiling point, enthalpy, etc.) and assorted descriptors associated to drug’s structure. The present study on TIs imposed on drugs was found to have a good correlation with physical properties.http://dx.doi.org/10.1155/2022/9749575 |
| spellingShingle | Fozia Bashir Farooq Nadeem Ul Hassan Awan Saima Parveen Nazeran Idrees Salma Kanwal Tarig A. Abdelhaleem Topological Indices of Novel Drugs Used in Cardiovascular Disease Treatment and Its QSPR Modeling Journal of Chemistry |
| title | Topological Indices of Novel Drugs Used in Cardiovascular Disease Treatment and Its QSPR Modeling |
| title_full | Topological Indices of Novel Drugs Used in Cardiovascular Disease Treatment and Its QSPR Modeling |
| title_fullStr | Topological Indices of Novel Drugs Used in Cardiovascular Disease Treatment and Its QSPR Modeling |
| title_full_unstemmed | Topological Indices of Novel Drugs Used in Cardiovascular Disease Treatment and Its QSPR Modeling |
| title_short | Topological Indices of Novel Drugs Used in Cardiovascular Disease Treatment and Its QSPR Modeling |
| title_sort | topological indices of novel drugs used in cardiovascular disease treatment and its qspr modeling |
| url | http://dx.doi.org/10.1155/2022/9749575 |
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