Biological Activity of Late Transition Metal-Based Compounds: From Computational and Theoretical Studies to Laboratory Exploration and Beyond
The use of metal compounds such as cisplatin and its derivatives as therapeutic and diagnostic agents against various diseases is well established. Although metallodrugs have been very successful clinically, low therapeutic selectivity and the potential toxicity of the metal compounds mandate the ne...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2024-01-01
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| Series: | Bioinorganic Chemistry and Applications |
| Online Access: | http://dx.doi.org/10.1155/2024/2829283 |
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| author | Ngonidzashe Ruwizhi Thishana Singh Bernard O. Omondi Muhammad D. Bala |
| author_facet | Ngonidzashe Ruwizhi Thishana Singh Bernard O. Omondi Muhammad D. Bala |
| author_sort | Ngonidzashe Ruwizhi |
| collection | DOAJ |
| description | The use of metal compounds such as cisplatin and its derivatives as therapeutic and diagnostic agents against various diseases is well established. Although metallodrugs have been very successful clinically, low therapeutic selectivity and the potential toxicity of the metal compounds mandate the need for a continuous search for more efficient and specific treatments. Hence, the use of computer-aided drug design (CADD), molecular modelling and theoretical studies in designing, selecting and applying potential drug candidates have become ever more necessary. Among the many computational and theoretical techniques, molecular docking and density functional theory play significant roles in predicting drug activity. Recent methodologies, within the past 5 years, that rely on these techniques to advance the adoption of potential metallodrugs are highlighted and thoroughly discussed. This is because advancements in computing power have led to the wide use of CADD approaches for drug discovery, development and analysis to shorten the time and reduce the costs associated with drug discovery. |
| format | Article |
| id | doaj-art-37700099d08c40fdb5efecc3c2d7fc68 |
| institution | DOAJ |
| issn | 1687-479X |
| language | English |
| publishDate | 2024-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Bioinorganic Chemistry and Applications |
| spelling | doaj-art-37700099d08c40fdb5efecc3c2d7fc682025-08-20T03:20:30ZengWileyBioinorganic Chemistry and Applications1687-479X2024-01-01202410.1155/2024/2829283Biological Activity of Late Transition Metal-Based Compounds: From Computational and Theoretical Studies to Laboratory Exploration and BeyondNgonidzashe Ruwizhi0Thishana Singh1Bernard O. Omondi2Muhammad D. Bala3School of Chemistry and PhysicsSchool of Chemistry and PhysicsSchool of Chemistry and PhysicsSchool of Chemistry and PhysicsThe use of metal compounds such as cisplatin and its derivatives as therapeutic and diagnostic agents against various diseases is well established. Although metallodrugs have been very successful clinically, low therapeutic selectivity and the potential toxicity of the metal compounds mandate the need for a continuous search for more efficient and specific treatments. Hence, the use of computer-aided drug design (CADD), molecular modelling and theoretical studies in designing, selecting and applying potential drug candidates have become ever more necessary. Among the many computational and theoretical techniques, molecular docking and density functional theory play significant roles in predicting drug activity. Recent methodologies, within the past 5 years, that rely on these techniques to advance the adoption of potential metallodrugs are highlighted and thoroughly discussed. This is because advancements in computing power have led to the wide use of CADD approaches for drug discovery, development and analysis to shorten the time and reduce the costs associated with drug discovery.http://dx.doi.org/10.1155/2024/2829283 |
| spellingShingle | Ngonidzashe Ruwizhi Thishana Singh Bernard O. Omondi Muhammad D. Bala Biological Activity of Late Transition Metal-Based Compounds: From Computational and Theoretical Studies to Laboratory Exploration and Beyond Bioinorganic Chemistry and Applications |
| title | Biological Activity of Late Transition Metal-Based Compounds: From Computational and Theoretical Studies to Laboratory Exploration and Beyond |
| title_full | Biological Activity of Late Transition Metal-Based Compounds: From Computational and Theoretical Studies to Laboratory Exploration and Beyond |
| title_fullStr | Biological Activity of Late Transition Metal-Based Compounds: From Computational and Theoretical Studies to Laboratory Exploration and Beyond |
| title_full_unstemmed | Biological Activity of Late Transition Metal-Based Compounds: From Computational and Theoretical Studies to Laboratory Exploration and Beyond |
| title_short | Biological Activity of Late Transition Metal-Based Compounds: From Computational and Theoretical Studies to Laboratory Exploration and Beyond |
| title_sort | biological activity of late transition metal based compounds from computational and theoretical studies to laboratory exploration and beyond |
| url | http://dx.doi.org/10.1155/2024/2829283 |
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