Optimization of HIV drugs through MCDM technique Analytic Hierarchy Process(AHP).
Topological indices are crucial tools for predicting the physicochemical and biological features of different drugs. They are numerical values obtained from the structure of chemical molecules. These indices, particularly the degree-based TIs are a useful tools for evaluating the connection between...
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| Format: | Article |
| Language: | English |
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Public Library of Science (PLoS)
2025-01-01
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| Series: | PLoS ONE |
| Online Access: | https://doi.org/10.1371/journal.pone.0316617 |
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| _version_ | 1832540233755787264 |
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| author | Fozia Bashir Farooq Sobia Sultana Nouf Abdulrahman Alqahtani Muhammad Imran |
| author_facet | Fozia Bashir Farooq Sobia Sultana Nouf Abdulrahman Alqahtani Muhammad Imran |
| author_sort | Fozia Bashir Farooq |
| collection | DOAJ |
| description | Topological indices are crucial tools for predicting the physicochemical and biological features of different drugs. They are numerical values obtained from the structure of chemical molecules. These indices, particularly the degree-based TIs are a useful tools for evaluating the connection between a compound's structure and its attributes. This study addresses the research problemof how to optimize drug design for HIV treatment using degree-based topological indices. The need for safer and more effective medicines for HIV is further emphasized by the advent of drug resistance and severe negative effects from current therapies. Employing degree-based graph invariants, the study investigates 13 HIV drugs by applying a quantitative structure-property relationship (QSPR) technique to associate their molecular structures with their physical properties. HIV drugs are ranked using the Analytic Hierarchy Process (AHP) according to specific parameters. The findings of the study demonstrate how well these approaches can determine the most effective possible drug combinations and designs, offering insightful information in developing improved HIV treatments. |
| format | Article |
| id | doaj-art-24bfc48b81c04300877f0fb8b0281880 |
| institution | Kabale University |
| issn | 1932-6203 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Public Library of Science (PLoS) |
| record_format | Article |
| series | PLoS ONE |
| spelling | doaj-art-24bfc48b81c04300877f0fb8b02818802025-02-05T05:31:11ZengPublic Library of Science (PLoS)PLoS ONE1932-62032025-01-01201e031661710.1371/journal.pone.0316617Optimization of HIV drugs through MCDM technique Analytic Hierarchy Process(AHP).Fozia Bashir FarooqSobia SultanaNouf Abdulrahman AlqahtaniMuhammad ImranTopological indices are crucial tools for predicting the physicochemical and biological features of different drugs. They are numerical values obtained from the structure of chemical molecules. These indices, particularly the degree-based TIs are a useful tools for evaluating the connection between a compound's structure and its attributes. This study addresses the research problemof how to optimize drug design for HIV treatment using degree-based topological indices. The need for safer and more effective medicines for HIV is further emphasized by the advent of drug resistance and severe negative effects from current therapies. Employing degree-based graph invariants, the study investigates 13 HIV drugs by applying a quantitative structure-property relationship (QSPR) technique to associate their molecular structures with their physical properties. HIV drugs are ranked using the Analytic Hierarchy Process (AHP) according to specific parameters. The findings of the study demonstrate how well these approaches can determine the most effective possible drug combinations and designs, offering insightful information in developing improved HIV treatments.https://doi.org/10.1371/journal.pone.0316617 |
| spellingShingle | Fozia Bashir Farooq Sobia Sultana Nouf Abdulrahman Alqahtani Muhammad Imran Optimization of HIV drugs through MCDM technique Analytic Hierarchy Process(AHP). PLoS ONE |
| title | Optimization of HIV drugs through MCDM technique Analytic Hierarchy Process(AHP). |
| title_full | Optimization of HIV drugs through MCDM technique Analytic Hierarchy Process(AHP). |
| title_fullStr | Optimization of HIV drugs through MCDM technique Analytic Hierarchy Process(AHP). |
| title_full_unstemmed | Optimization of HIV drugs through MCDM technique Analytic Hierarchy Process(AHP). |
| title_short | Optimization of HIV drugs through MCDM technique Analytic Hierarchy Process(AHP). |
| title_sort | optimization of hiv drugs through mcdm technique analytic hierarchy process ahp |
| url | https://doi.org/10.1371/journal.pone.0316617 |
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