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Computational Approaches in the Development of Tubulin-Targeted Anticancer Agents

  • 2025
  • OriginalPaper
  • Chapter
Published in:
Authors
Natália Bianca Puglia Conde
Carlos Henrique Tomich de Paula da Silva
Published in
Computational Intelligence in Drug Development
Publisher
Springer Nature Switzerland

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Abstract

This chapter delves into the critical role of tubulin in cancer treatment and the innovative use of computational approaches to develop targeted anticancer agents. It explores the structure and function of tubulin, highlighting its importance in cell division and the challenges of traditional chemotherapeutic agents. The text discusses various computational tools, such as molecular docking, molecular dynamics simulations, and pharmacophore modeling, which are revolutionizing drug discovery by predicting binding affinities, optimizing lead compounds, and accelerating the identification of novel tubulin inhibitors. Additionally, it covers the integration of experimental data with computational strategies and the future prospects of AI and machine learning in enhancing drug design. The chapter concludes with a vision of precision oncology, where advanced technologies promise more effective and safer treatments for cancer.
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previous chapter Therapeutic Peptides: Innovation and Potential at the Frontier of Medicine and Pharmacology
next chapter Enzymes as Targets for Disease Control: From Discovery to Application
Title
Computational Approaches in the Development of Tubulin-Targeted Anticancer Agents
Authors
Natália Bianca Puglia Conde
Carlos Henrique Tomich de Paula da Silva
Copyright Year
2025
Book
Computational Intelligence in Drug Development

Print ISBN: 978-3-032-07365-5

Electronic ISBN: 978-3-032-07366-2

Copyright Year: 2025

DOI
https://doi.org/10.1007/978-3-032-07366-2_7
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