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2000
Volume 5, Issue 1
  • ISSN: 2950-4023
  • E-ISSN: 2950-4031

Abstract

Introduction

Recent developments in artificial intelligence-driven tools are drastically changing drug research and developmental scenarios, especially in the area of structural protein predictions. This review aims to examine the impact that recent advancements (AI) in protein structure prediction have had on drug developmental processes, with an initial emphasis on studies related to cancer and other diseases.

Objective

The main objective of the article is how these technical advancements, such as AlphaFold2, as an example, are transforming our knowledge of the functional and structural changes in proteins that underlie cancer and enhance our defence against them.

Methods

The structured literature review, with its dependable and reproducible research process, allowed the authors to acquire 95 peer-reviewed publications from indexing databases, such as Scopus, ScienceDirect, Web of Science (WoS), PubMed, and EMBASE by utilizing PRISMA (Preferred Reporting Items for Systematic Reviews and Meta-Analysis) regulations. Numerous keyword combinations regarding AI tools and their role in structural biology were used to create the query syntax.

Results

Requests for search codes on five online archives served as the foundation for the review article selection procedure. The search request yielded 1,643 articles; however, only 1,553 articles remained when duplicates were removed, and 1,345 papers were excluded by the screening process. After screening 208 papers, we decided to focus our review study on 95 reputable publications.

Conclusion

AI applications in computational biology have reached a significant milestone with AF2, which initiated the process and has demonstrated exceptional performances in forecasting protein structures. By accurately predicting protein structures, these AI techniques can expedite the development process of new cancer treatments and medicines, and more efficiently detect and verify new targets for drugs, especially for those having no extensive structural knowledge.

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Advancements in AI for Protein Structure Prediction: Impact on Cancer Drug Discovery and Development: A Systematic Review
CTC 5, E29504023345000 (2025); https://doi.org/10.2174/0129504023345000250113104248
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  • Article Type:     Review Article
Keyword(s): AlphaFold2; artificial intelligence; cancer treatments and medicines; drug discovery; generative AI; protein structure prediction
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