Evidence map›Paper›PMID 40247646›Full record

ArticleFuture medicinal chemistry2025

Bioactive structures for inhibitors of

Francisco Das Chagas Lima Pinto, Sadrack Queque Cabongo, Pedro Paulino João, Maria Do Socorro Pereira Costa Lima, Maria Mabelle Pereira Costa Paiva, Junilson Martinho Canjanja Madureira, Bernardino Joaquim Caluaco, Regilany Paulo Colares, Moises Maia Neto, Hélcio Silva Dos Santos and 2 more

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Future medicinal chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

12 authors.

Francisco Das Chagas Lima PintoSociobiodiversity and Sustainable Technologies - MASTS, Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusophony, Acarape-CE, Brazil.
Sadrack Queque CabongoInstitute of Exact and Natural Sciences, University of International Integration of Afro-Brazilian Lusophony, Acarape-CE, Brazil.
Pedro Paulino JoãoInstitute of Exact and Natural Sciences, University of International Integration of Afro-Brazilian Lusophony, Acarape-CE, Brazil.
Maria Do Socorro Pereira Costa LimaInstitute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusophony - UNILAB, Redenção, Brazil.
Maria Mabelle Pereira Costa PaivaSociobiodiversity and Sustainable Technologies - MASTS, Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusophony, Acarape-CE, Brazil.
Junilson Martinho Canjanja MadureiraInstitute of Exact and Natural Sciences, University of International Integration of Afro-Brazilian Lusophony, Acarape-CE, Brazil.
Bernardino Joaquim CaluacoInstitute of Exact and Natural Sciences, University of International Integration of Afro-Brazilian Lusophony, Acarape-CE, Brazil.
Regilany Paulo ColaresInstitute of Exact and Natural Sciences, University of International Integration of Afro-Brazilian Lusophony, Acarape-CE, Brazil.
Moises Maia NetoDepartment of Pharmacy, Centro Universitário Fametro, Fortaleza, Brazil.
Hélcio Silva Dos SantosDepartment of Biological Chemistry, Regional University of Cariri, Crato, Brazil.
Emmanuel Silva MarinhoFaculty of Philosophy Dom Aureliano Matos - FAFIDAM, State University of Ceará, Centro, Limoeiro do Norte, Brazil.
Aluísio Marques da FonsecaSociobiodiversity and Sustainable Technologies - MASTS, Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusophony, Acarape-CE, Brazil.ORCID 0000-0002-8112-9513

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

aimsPresent new bioactive compounds, created by De novo Drug Design and artificial intelligence (AI), as possible inhibitors of MATERIALS &

methodsMolAICal's AI module was configured to identify FDA-approved molecular fragments with therapeutic effectiveness against

resultsAmong 1,722 new forms, the Hit-960 compound stood out for its high bioaffinity and stability, with a binding energy of -9.12 kcal/mol and 75% synthetic accessibility.

conclusionsClinical studies are recommended to test its efficacy, contributing to the development of new treatments for

Indexed as

Antifungal AgentsArtificial IntelligenceCandidaEnzyme InhibitorsDrug DesignHumansMolecular Docking SimulationMolecular Dynamics SimulationMolecular StructureAntifungal AgentsEnzyme Inhibitorsdeep learningmolecular dockingmolecular dynamicsProteasesuperfungo

Identifiers

PMID40247646
PMCPMC12506726

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.