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From crystal to compound: structure-based antimalarial drug discovery.

Nyssa Drinkwater1, Sheena McGowan1

  • 1*Department of Biochemistry and Molecular Biology, Monash University, Clayton Campus, Melbourne, VIC 3800, Australia.

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Malaria drug discovery is advancing rapidly due to structural biology (SBDD). SBDD accelerates the development of new antimalarial treatments to combat drug-resistant Plasmodium parasites.

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Area of Science:

  • * Medicinal Chemistry and Structural Biology
  • * Infectious Diseases and Parasitology

Background:

  • * Malaria remains a devastating global disease, with Plasmodium parasite drug resistance hindering control efforts.
  • * Developing novel antimalarial therapeutics is a critical global health priority.
  • * Increased funding and open-source collaborations are driving rapid advances in drug discovery.

Purpose of the Study:

  • * To review the contribution of structure-based drug discovery (SBDD) to antimalarial drug development.
  • * To examine SBDD's role from hit discovery to lead optimization and resistance prevention.
  • * To discuss the potential of structural biology, including high-throughput genomics, for identifying future drug targets.

Main Methods:

  • * Review of current antimalarial drug development approaches: chemistry-based, target-based, and cell-based.
  • * Emphasis on the application of structural biology and SBDD in accelerating drug discovery.
  • * Analysis of SBDD's impact on preclinical and clinical antimalarial candidates.

Main Results:

  • * Structure-based drug discovery (SBDD) has been instrumental in developing current antimalarial drug candidates.
  • * SBDD informs and accelerates antimalarial drug development across various approaches.
  • * Continued evolution of SBDD is necessary to address resistance and optimize therapeutic characteristics.

Conclusions:

  • * Structure-based drug discovery is a vital foundation for developing effective antimalarial treatments.
  • * Advancements in structural biology are crucial for overcoming parasite resistance and reducing attrition rates.
  • * High-throughput structural genomics holds promise for identifying novel antimalarial drug targets.