دورية أكاديمية
Leveraging computational tools to combat malaria: assessment and development of new therapeutics
| العنوان: | Leveraging computational tools to combat malaria: assessment and development of new therapeutics |
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| المؤلفون: | Nomagugu B. Ncube, Matshawandile Tukulula, Krishna G. Govender |
| المصدر: | Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-14 (2024) |
| بيانات النشر: | BMC, 2024. |
| سنة النشر: | 2024 |
| المجموعة: | LCC:Information technology LCC:Chemistry |
| مصطلحات موضوعية: | Computer-aided drug design, in silico techniques, Machine learning, AI, QSAR, Information technology, T58.5-58.64, Chemistry, QD1-999 |
| الوصف: | Abstract As the world grapples with the relentless challenges posed by diseases like malaria, the advent of sophisticated computational tools has emerged as a beacon of hope in the quest for effective treatments. In this study we delve into the strategies behind computational tools encompassing virtual screening, molecular docking, artificial intelligence (AI), and machine learning (ML). We assess their effectiveness and contribution to the progress of malaria treatment. The convergence of these computational strategies, coupled with the ever-increasing power of computing systems, has ushered in a new era of drug discovery, holding immense promise for the eradication of malaria. Scientific contribution Computational tools remain pivotal in drug design and development. They provide a platform for researchers to explore various treatment options and save both time and money in the drug development pipeline. It is imperative to assess computational techniques and monitor their effectiveness in disease control. In this study we examine renown computational tools that have been employed in the battle against malaria, the benefits and challenges these tools have presented, and the potential they hold in the future eradication of the disease. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 1758-2946 07905327 |
| العلاقة: | https://doaj.org/toc/1758-2946Test |
| DOI: | 10.1186/s13321-024-00842-z |
| الوصول الحر: | https://doaj.org/article/e9c07905327b4700ba60ff22c340bdb2Test |
| رقم الانضمام: | edsdoj.9c07905327b4700ba60ff22c340bdb2 |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 17582946 07905327 |
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| DOI: | 10.1186/s13321-024-00842-z |