Evidence map›Paper›PMID 28434763›Full record

ArticleBioorganic & medicinal chemistry letters2017

Computer-aided discovery of two novel chalcone-like compounds active and selective against Leishmania infantum.

Marcelo N Gomes, Laura M Alcântara, Bruno J Neves, Cleber C Melo-Filho, Lucio H Freitas-Junior, Carolina B Moraes, Rui Ma, Scott G Franzblau, Eugene Muratov, Carolina Horta Andrade

Open access · greenAbstract read
In one paragraph

Article in Bioorganic & medicinal chemistry letters, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.

0numbers the graph read from it
0cells of the map it votes in
10citing papers in PubMed
4.2field-weighted citation impact, top 6% 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

10 citing papers in PubMed, 28 citations in OpenAlex.

  1. Novel Chalcone Derivatives as Anti-Antibiotics (Basel, Switzerland) · 2025
    Article
  2. Article
  3. Review
  4. Curated Data In - TrustworthyAlternatives to laboratory animals : ATLA · 2021
    Review
  5. Article
  6. Article
  7. Article
  8. Article
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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

10 authors at 6 institutions in 3 countries.

Marcelo N GomesLabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmacia, Universidade Federal de Goias, Rua 240, Qd.87, Setor Leste Universitário, Goiania, Goias 74605-510, Brazil.
Laura M AlcântaraBrazilian Biosciences National Laboratory (LNBio), Brazilian Center for Research in Energy and Materials (CNPEM), 13083-970, Campinas, Sao Paulo, Brazil. d Instituto Butantan - Sao Paulo, Sao Paulo 05503-900, Brazil.
Bruno J NevesLabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmacia, Universidade Federal de Goias, Rua 240, Qd.87, Setor Leste Universitário, Goiania, Goias 74605-510, Brazil; Postgraduate Program on Society, Technology and Enviroment, University Center of Anápolis/UniEVANGELICA, Anápolis, Goiás 75083-515, Brazil.
Cleber C Melo-FilhoLabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmacia, Universidade Federal de Goias, Rua 240, Qd.87, Setor Leste Universitário, Goiania, Goias 74605-510, Brazil.
Lucio H Freitas-JuniorInstitute Butantan -Sao Paulo, Sao Paulo 05503-900, Brazil.
Carolina B MoraesBrazilian Biosciences National Laboratory (LNBio), Brazilian Center for Research in Energy and Materials (CNPEM), 13083-970, Campinas, Sao Paulo, Brazil. d Instituto Butantan - Sao Paulo, Sao Paulo 05503-900, Brazil.
Rui MaInstitute for Tuberculosis Research, University of Illinois at Chicago, 833 South Wood Street, Chicago, IL 60612, United States.
Scott G FranzblauInstitute for Tuberculosis Research, University of Illinois at Chicago, 833 South Wood Street, Chicago, IL 60612, United States.
Eugene MuratovLaboratory for Molecular Modeling, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC 27599, United States; Department of Chemical Technology, Odessa National Polytechnic University, Odessa 65000, Ukraine; Currently Visiting Professor at Universidade Federal de Goias, Goiania, Brazil.
Carolina Horta AndradeLabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmacia, Universidade Federal de Goias, Rua 240, Qd.87, Setor Leste Universitário, Goiania, Goias 74605-510, Brazil. Electronic address: carolhandrade@gmail.com.
Universidade Federal de Goiás · BRUniversity of Illinois Chicago · USBrazilian Biosciences National Laboratory · BRBrazilian Center for Research in Energy and Materials · BRInstituto Butantan · BRUniversidade Evangelica de Goiás · BR

Funding

Drug Repurposing for Cancer Therapy: From Man to Molecules to ManU01CA207160 · NCI · UNIV OF NORTH CAROLINA CHAPEL HILL · PI TROPSHA, ALEXANDER · 2016 to 2018
$1.2M
NCI NIH HHS U01 CA207160
6 · The paper itself

Abstract

Leishmaniasis are infectious diseases caused by parasites of genus Leishmania that affect affects 12 million people in 98 countries mainly in Africa, Asia, and Latin America. Effective treatments for this disease are urgently needed. In this study, we present a computer-aided approach to investigate a set of 32 recently synthesized chalcone and chalcone-like compounds to act as antileishmanial agents. As a result, nine most promising compounds and three potentially inactive compounds were experimentally evaluated against Leishmania infantum amastigotes and mammalian cells. Four compounds exhibited EC

Indexed as

Amphotericin BAnimalsAntiprotozoal AgentsChalconesChlorocebus aethiopsComputer SimulationCysteine Proteinase InhibitorsDatabases, FactualDrug DiscoveryHumansLeishmania infantumMolecular Docking SimulationNitrofuransPiperazinesPiperidinesStructure-Activity RelationshipAmphotericin BAntiprotozoal AgentsChalconesCysteine Proteinase InhibitorsLabMol-65LabMol-73NitrofuransPiperazinesPiperidinesAntileishmanial agentsMolecular modelingNitroheterocycle chalconesSelectivityTarget fishing

Identifiers

PMID28434763
PMCPMC6020026
OpenAlexW2604824156

What OpenQuestion holds

Textmetadata
LicenceTDM
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.