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Computational Models for Neglected Diseases: Gaps and Opportunities

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ABSTRACT

Neglected diseases, such as Chagas disease, African sleeping sickness, and intestinal worms, affect millions of the world’s poor. They disproportionately affect marginalized populations, lack effective treatments or vaccines, or existing products are not accessible to the populations affected. Computational approaches have been used across many of these diseases for various aspects of research or development, and yet data produced by computational approaches are not integrated and widely accessible to others. Here, we identify gaps in which computational approaches have been used for some neglected diseases and not others. We also make recommendations for the broad-spectrum integration of these techniques into a neglected disease drug discovery and development workflow.

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ACKNOWLEDGMENTS AND DISCLOSURES

SE acknowledges discussions and collaborations with colleagues and collaborators at CDD and SRI.

ELP was a consultant for CDD.

SE Consults for Collaborative Drug Discovery on a Bill and Melinda Gates Foundation Grant#49852 “Collaborative drug discovery for TB through a novel database of SAR data optimized to promote data archiving and sharing”.

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Authors and Affiliations

  1. Center for Emerging and Neglected Diseases, Berkeley, 444A Li Ka Shing Center, Berkeley, California, 94720-3370, USA

    Elizabeth L. Ponder

  2. Department of Medicine Center for Emerging and Reemerging Pathogens, Rutgers University-New Jersey Medical School, 185 South Orange Ave., Newark,, New Jersey, 07103, USA

    Joel S. Freundlich

  3. Department of Pharmacology and Physiology, Rutgers University-New Jersey Medical School, 185 South Orange Ave., Newark, New Jersey, 07103, USA

    Joel S. Freundlich

  4. SRI International, 333 Ravenswood Ave., Menlo Park, California, 94025, USA

    Malabika Sarker

  5. Collaborations in Chemistry, 5616 Hilltop Needmore Rd., Fuquay Varina, North Carolina, 27526, USA

    Sean Ekins

  6. Collaborative Drug Discovery, 1633 Bayshore Highway Suite 342, Burlingame, California, 94010, USA

    Sean Ekins

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  1. Elizabeth L. Ponder
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Correspondence to Sean Ekins.

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Ponder, E.L., Freundlich, J.S., Sarker, M. et al. Computational Models for Neglected Diseases: Gaps and Opportunities. Pharm Res 31, 271–277 (2014). https://doi.org/10.1007/s11095-013-1170-9

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