Evidence map›Paper›PMID 30560386›Full record

ReviewPharmaceutical research2018

High Throughput and Computational Repurposing for Neglected Diseases.

Helen W Hernandez, Melinda Soeung, Kimberley M Zorn, Norah Ashoura, Melina Mottin, Carolina Horta Andrade, Conor R Caffrey, Jair Lage de Siqueira-Neto, Sean Ekins

Open access · hybridAbstract readReview
In one paragraph

Review in Pharmaceutical research, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 32 papers.

0numbers the graph read from it
0cells of the map it votes in
32citing papers in PubMed
5.9field-weighted citation impact, top 3% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

32 citing papers in PubMed, 55 citations in OpenAlex.

  1. Article
  2. New hit compounds againstAntimicrobial agents and chemotherapy · 2026
    Article
  3. Discovery of novel repurposed anthelminthics againstCurrent research in parasitology & vector-borne diseases · 2026
    Article
  4. Review
  5. Review
  6. Article
  7. Drug to genome to drug: a computational large-scale chemogenomics screening for novel drug candidates against sporotrichosis.Brazilian journal of microbiology : [publication of the Brazilian Society for Microbiology] · 2024
    Article
  8. Article
  9. Article
  10. Article
  11. Article
  12. The Commoditization of AI for Molecule Design.Artificial intelligence in the life sciences · 2022
    Article
  13. Mycobacterium abscessus drug discovery using machine learning.Tuberculosis (Edinburgh, Scotland) · 2022
    Article
  14. Article
  15. Machine Learning Models Identify Inhibitors of SARS-CoV-2.Journal of chemical information and modeling · 2021
    Article
  16. Article
  17. Article
  18. Article
  19. Article
  20. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

9 authors at 6 institutions in 3 countries.

Helen W HernandezKAL Research Initiatives LLC, Houston, Texas, 77042, USA. helenwhernandez@kalresearchinitiatives.com.
Melinda SoeungMD Anderson Cancer Center, University of Texas, Houston, Texas, USA.
Kimberley M ZornCollaborations Pharmaceuticals Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina, 27606, USA.
Norah AshouraUniversity of Texas at Austin, Austin, Texas, USA.
Melina MottinLabMol - Laboratory for Molecular Modeling and Drug Design Faculdade de Farmacia, Universidade Federal de Goias - UFG, Goiânia, GO, 74605-170, Brazil.
Carolina Horta AndradeLabMol - Laboratory for Molecular Modeling and Drug Design Faculdade de Farmacia, Universidade Federal de Goias - UFG, Goiânia, GO, 74605-170, Brazil.
Conor R CaffreyCenter for Discovery and Innovation in Parasitic Diseases, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, California, 92093, USA.
Jair Lage de Siqueira-NetoCenter for Discovery and Innovation in Parasitic Diseases, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, California, 92093, USA.
Sean EkinsCollaborations Pharmaceuticals Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina, 27606, USA. sean@collaborationspharma.com.ORCID http://orcid.org/0000-0002-5691-5790
Collaborations Pharmaceuticals (United States) · USUniversidade Federal de Goiás · BRUniversity of California San Diego · USDevelopment Initiatives · GBThe University of Texas at Austin · USThe University of Texas MD Anderson Cancer Center · US

Funding

Centralized assay datasets for modelling support of small drug discovery organizationsR44GM122196 · NIGMS · COLLABORATIONS PHARMACEUTICALS, INC. · PI EKINS, SEAN · 2018 to 2022
$3.3M
Sao Paulo-Minas Gerais Tropical Medicine Research Center for Chagas Disease Biomarker DiscoveryU19AI098461 · NIAID · FUNDACAO FACULDADE DE MEDICINA · PI RIBEIRO, ANTONIO LUIZ PINHO · 2017 to 2021
$2.1M
Repurposing pyronaridine as a treatment for Chagas diseaseUH2TR002084 · NCATS · COLLABORATIONS PHARMACEUTICALS, INC. · PI EKINS, SEAN, SABINO, ESTER CERDEIRA · 2017 to 2019
$622k
Repurposing pyronaridine as a treatment for the Ebola virusR21TR001718 · NCATS · COLLABORATIONS PHARMACEUTICALS, INC. · PI DAVEY, ROBERT A, EKINS, SEAN · 2016 to 2017
$601k
Centralized assay datasets for modelling support of small drug discovery organizationsR43GM122196 · NIGMS · COLLABORATIONS PHARMACEUTICALS, INC. · PI EKINS, SEAN · 2017 to 2017
$150k
NCATS NIH HHS 1R21TR001718-01NCATS NIH HHS 1UH2TR002084-01NCATS NIH HHS R21 TR001718NCATS NIH HHS UH2 TR002084NIAID NIH HHS U19 AI098461NIGMS NIH HHS 1R43GM122196-01NIGMS NIH HHS R43 GM122196NIGMS NIH HHS R44 GM122196NIGMS NIH HHS R44GM122196-02A1SCNPq/FAPEG DCR 300508/2017-4
6 · The paper itself

Abstract

purposeNeglected tropical diseases (NTDs) represent are a heterogeneous group of communicable diseases that are found within the poorest populations of the world. There are 23 NTDs that have been prioritized by the World Health Organization, which are endemic in 149 countries and affect more than 1.4 billion people, costing these developing economies billions of dollars annually. The NTDs result from four different causative pathogens: protozoa, bacteria, helminth and virus. The majority of the diseases lack effective treatments. Therefore, new therapeutics for NTDs are desperately needed.

methodsWe describe various high throughput screening and computational approaches that have been performed in recent years. We have collated the molecules identified in these studies and calculated molecular properties.

resultsNumerous global repurposing efforts have yielded some promising compounds for various neglected tropical diseases. These compounds when analyzed as one would expect appear drug-like. Several large datasets are also now in the public domain and this enables machine learning models to be constructed that then facilitate the discovery of new molecules for these pathogens.

conclusionsIn the space of a few years many groups have either performed experimental or computational repurposing high throughput screens against neglected diseases. These have identified compounds which in many cases are already approved drugs. Such approaches perhaps offer a more efficient way to develop treatments which are generally not a focus for global pharmaceutical companies because of the economics or the lack of a viable market. Other diseases could perhaps benefit from these repurposing approaches.

Indexed as

Computer SimulationDrug Evaluation, PreclinicalDrug RepositioningHigh-Throughput Screening AssaysHumansNeglected DiseasesPhenotypedengueebolaechinococcosiselephantiasishigh throughput screeningkinetoplastidslymphatic filariasisneglected tropical diseasesonchocerciasisrepurposingschistosomazika

Identifiers

PMID30560386
PMCPMC6792295
OpenAlexW2904238453

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.