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Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond.
Wesley C Van Voorhis1, John H Adams2, Roberto Adelfio3,4
1Departments of Medicine, Microbiology, and Global Health, Center for Emerging and Re-emerging Infectious Diseases (CERID) University of Washington, Seattle, Washington, United States of America.
Plos Pathogens
|July 29, 2016
Summary
Open sharing of drug discovery compounds accelerates finding new treatments. The Malaria Box initiative provides over 400 compounds to researchers, enabling meta-analysis and identifying leads for malaria and other diseases.
Area of Science:
- Drug Discovery
- Medicinal Chemistry
- Parasitology
Background:
- Bridging the gap between academic research and industrial drug discovery is crucial for innovation.
- Open access to biological resources and data is essential for accelerating research.
- The Medicines for Malaria Venture (MMV) Malaria Box is a key resource for antimalarial drug discovery.
Purpose of the Study:
- To report on 236 new screens conducted against the MMV Malaria Box compounds.
- To compare these results with 55 previously published assays for meta-analysis.
- To identify mechanisms of action and potential drug leads for malaria and other diseases.
Main Methods:
- Distribution of the Malaria Box (over 400 compounds) to nearly 200 research groups globally.
- Collection and public deposition of screening data.
- Combined meta-analysis of biochemical and cellular assays.
- Evaluation of toxicological, pharmacokinetic, and metabolic properties.
Main Results:
- Mechanisms of action identified for 135 (34%) active compounds against multiple malaria parasite life stages.
- Compounds showed activity against 16 protozoa, 7 helminths, 9 bacterial/mycobacterial species, dengue vector, and NCI-60 cancer cell lines.
- Data analysis facilitated selection of promising candidates for further development.
Conclusions:
- Open access to compound libraries and shared data can catalyze drug discovery for numerous indications.
- Collaborative screening efforts accelerate the identification of valuable drug starting points.
- Translating dispersed biological assay expertise into drug discovery is achievable with open access models.
