Topological Descriptors and QSPR Modelling of HIV/AIDS Disease Treatment Drugs
A topological index is a real number derived from the structure of a chemical graph. It helps determine the physicochemical and biological properties of a wide range of drugs, and it better reflects the theoretical properties of organic compounds. This is accomplished using degree-based topological...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2023-01-01
|
| Series: | Discrete Dynamics in Nature and Society |
| Online Access: | http://dx.doi.org/10.1155/2023/9963241 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1849308556182945792 |
|---|---|
| author | Fozia Bashir Farooq Saima Parveen Nadeem Ul Hassan Awan Rakotondrajao Fanja |
| author_facet | Fozia Bashir Farooq Saima Parveen Nadeem Ul Hassan Awan Rakotondrajao Fanja |
| author_sort | Fozia Bashir Farooq |
| collection | DOAJ |
| description | A topological index is a real number derived from the structure of a chemical graph. It helps determine the physicochemical and biological properties of a wide range of drugs, and it better reflects the theoretical properties of organic compounds. This is accomplished using degree-based topological indices. We examined some of the physiochemical characteristics of thirteen HIV therapy medications and created a QSPR model utilizing nine of the medication’s topological indices. The melting point, boiling point, flash point, complexity, surface tension, etc., of HIV medicines are closely related according to this QSPR model. This work can help to design and synthesize new HIV treatments and other disease drugs. |
| format | Article |
| id | doaj-art-028c91d6b97e487084e982c14e893be3 |
| institution | Kabale University |
| issn | 1607-887X |
| language | English |
| publishDate | 2023-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Discrete Dynamics in Nature and Society |
| spelling | doaj-art-028c91d6b97e487084e982c14e893be32025-08-20T03:54:25ZengWileyDiscrete Dynamics in Nature and Society1607-887X2023-01-01202310.1155/2023/9963241Topological Descriptors and QSPR Modelling of HIV/AIDS Disease Treatment DrugsFozia Bashir Farooq0Saima Parveen1Nadeem Ul Hassan Awan2Rakotondrajao Fanja3Department of Mathematics and StatisticsDepartment of MathematicsDepartment of MathematicsDepartment of Mathematics and InformaticsA topological index is a real number derived from the structure of a chemical graph. It helps determine the physicochemical and biological properties of a wide range of drugs, and it better reflects the theoretical properties of organic compounds. This is accomplished using degree-based topological indices. We examined some of the physiochemical characteristics of thirteen HIV therapy medications and created a QSPR model utilizing nine of the medication’s topological indices. The melting point, boiling point, flash point, complexity, surface tension, etc., of HIV medicines are closely related according to this QSPR model. This work can help to design and synthesize new HIV treatments and other disease drugs.http://dx.doi.org/10.1155/2023/9963241 |
| spellingShingle | Fozia Bashir Farooq Saima Parveen Nadeem Ul Hassan Awan Rakotondrajao Fanja Topological Descriptors and QSPR Modelling of HIV/AIDS Disease Treatment Drugs Discrete Dynamics in Nature and Society |
| title | Topological Descriptors and QSPR Modelling of HIV/AIDS Disease Treatment Drugs |
| title_full | Topological Descriptors and QSPR Modelling of HIV/AIDS Disease Treatment Drugs |
| title_fullStr | Topological Descriptors and QSPR Modelling of HIV/AIDS Disease Treatment Drugs |
| title_full_unstemmed | Topological Descriptors and QSPR Modelling of HIV/AIDS Disease Treatment Drugs |
| title_short | Topological Descriptors and QSPR Modelling of HIV/AIDS Disease Treatment Drugs |
| title_sort | topological descriptors and qspr modelling of hiv aids disease treatment drugs |
| url | http://dx.doi.org/10.1155/2023/9963241 |
| work_keys_str_mv | AT foziabashirfarooq topologicaldescriptorsandqsprmodellingofhivaidsdiseasetreatmentdrugs AT saimaparveen topologicaldescriptorsandqsprmodellingofhivaidsdiseasetreatmentdrugs AT nadeemulhassanawan topologicaldescriptorsandqsprmodellingofhivaidsdiseasetreatmentdrugs AT rakotondrajaofanja topologicaldescriptorsandqsprmodellingofhivaidsdiseasetreatmentdrugs |