Revisiting the Plasmodium falciparum druggable genome using predicted structures and data mining Article Swipe
Karla P. Godinez‐Macias
,
Daisy Chen
,
John Wallis
,
Miles G. Siegel
,
Anna Adam
,
Selina Bopp
,
Krypton Carolino
,
Lauren B. Coulson
,
Greg Durst
,
Vandana Thathy
,
Lisl Y. Esherick
,
Madeline A. Farringer
,
Erika L. Flannery
,
Barbara Forte
,
Tiqing Liu
,
Luma G. Magalhães
,
Anil Kumar Gupta
,
Eva S. Istvan
,
Tiantian Jiang
,
Krittikorn Kümpornsin
,
Karen L. Lobb
,
Kyle J McLean
,
Igor M. R. Moura
,
John Okombo
,
N. Connor Payne
,
Andrew Plater
,
Srinivasa P. S. Rao
,
Jair L. Siqueira-Neto
,
B. Somsen
,
Robert L. Summers
,
Rumin Zhang
,
Michael K. Gilson
,
Francisco‐Javier Gamo
,
Brice Campo
,
Beatriz Baragaña
,
James Duffy
,
Ian H. Gilbert
,
Amanda K. Lukens
,
Koen J. Dechering
,
Jacquin C. Niles
,
Case W. McNamara
,
Xiu Cheng
,
Lyn‐Marié Birkholtz
,
Alfred W. Bronkhorst
,
David A. Fidock
,
Dyann F. Wirth
,
Daniel E. Goldberg
,
Lee M
,
Elizabeth A. Winzeler
·
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.21203/rs.3.rs-5412515/v1
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.21203/rs.3.rs-5412515/v1
The identification of novel drug targets for the purpose of designing small molecule inhibitors is key component to modern drug discovery. In malaria parasites, discoveries of antimalarial targets have primarily occurred retroactively by investigating the mode of action of compounds found through phenotypic screens. Although this method has yielded many promising candidates, it is time- and resource-consuming and misses targets not captured by existing antimalarial compound libraries and phenotypic assay conditions. Leveraging recent advances in protein structure prediction and data mining, we systematically assessed the Plasmodium falciparum genome for proteins amenable to target-based drug discovery, identifying 867 candidate targets with evidence of small molecule binding and blood stage essentiality. Of these, 540 proteins showed strong essentiality evidence and lack inhibitors that have progressed to clinical trials. Expert review and rubric-based scoring of this subset based on additional criteria such as selectivity, structural information, and assay developability yielded 67 high priority candidates. This study also provides a genome-wide data resource and implements a generalizable framework for systematically evaluating and prioritizing novel pathogenic disease targets.
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Metadata
- Type
- preprint
- Language
- en
- Landing Page
- https://doi.org/10.21203/rs.3.rs-5412515/v1
- https://www.researchsquare.com/article/rs-5412515/latest.pdf
- OA Status
- gold
- Cited By
- 1
- References
- 86
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4404716280
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W4404716280Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.21203/rs.3.rs-5412515/v1Digital Object Identifier
- Title
-
Revisiting the Plasmodium falciparum druggable genome using predicted structures and data miningWork title
- Type
-
preprintOpenAlex work type
- Language
-
enPrimary language
- Publication year
-
2024Year of publication
- Publication date
-
2024-11-26Full publication date if available
- Authors
-
Karla P. Godinez‐Macias, Daisy Chen, John Wallis, Miles G. Siegel, Anna Adam, Selina Bopp, Krypton Carolino, Lauren B. Coulson, Greg Durst, Vandana Thathy, Lisl Y. Esherick, Madeline A. Farringer, Erika L. Flannery, Barbara Forte, Tiqing Liu, Luma G. Magalhães, Anil Kumar Gupta, Eva S. Istvan, Tiantian Jiang, Krittikorn Kümpornsin, Karen L. Lobb, Kyle J McLean, Igor M. R. Moura, John Okombo, N. Connor Payne, Andrew Plater, Srinivasa P. S. Rao, Jair L. Siqueira-Neto, B. Somsen, Robert L. Summers, Rumin Zhang, Michael K. Gilson, Francisco‐Javier Gamo, Brice Campo, Beatriz Baragaña, James Duffy, Ian H. Gilbert, Amanda K. Lukens, Koen J. Dechering, Jacquin C. Niles, Case W. McNamara, Xiu Cheng, Lyn‐Marié Birkholtz, Alfred W. Bronkhorst, David A. Fidock, Dyann F. Wirth, Daniel E. Goldberg, Lee M, Elizabeth A. WinzelerList of authors in order
- Landing page
-
https://doi.org/10.21203/rs.3.rs-5412515/v1Publisher landing page
- PDF URL
-
https://www.researchsquare.com/article/rs-5412515/latest.pdfDirect link to full text PDF
- Open access
-
YesWhether a free full text is available
- OA status
-
goldOpen access status per OpenAlex
- OA URL
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https://www.researchsquare.com/article/rs-5412515/latest.pdfDirect OA link when available
- Concepts
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Druggability, Computational biology, Genome, Drug discovery, Plasmodium falciparum, Identification (biology), Biology, Small molecule, Computer science, Bioinformatics, Malaria, Genetics, Gene, Botany, ImmunologyTop concepts (fields/topics) attached by OpenAlex
- Cited by
-
1Total citation count in OpenAlex
- Citations by year (recent)
-
2025: 1Per-year citation counts (last 5 years)
- References (count)
-
86Number of works referenced by this work
- Related works (count)
-
10Other works algorithmically related by OpenAlex
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