Evidence map›Paper›PMID 40667807›Full record

ArticleChemistryOpen2025

"Molecular Docking and Dynamic Studies of Amide Derivatives from Cinnamic Acid with Potential Anti-Dengue Virus Activity".

Luis Alfonso Cárdenas-Granados, Manuel Alejandro Hernández-Serda, Omar Joel Villegas-Solís, Víctor Hugo Vázquez-Valadez, Aldo Yoshio Alarcón-López, Pablo A Martínez-Soriano, Jaqueline Ramos-Sánchez, Tannya Karen Castro-Jiménez, José Bustos-Arriaga, Enrique Angeles

Abstract read
In one paragraph

Article in ChemistryOpen, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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

10 authors.

Luis Alfonso Cárdenas-GranadosLaboratorio de Química Medicinal y Teórica FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Campo 1 Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City, 54740, Mexico.ORCID 0009-0004-8687-4143
Manuel Alejandro Hernández-SerdaDepartamento de Ciencias Químicas FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City, 54740, Mexico.ORCID 0009-0009-0702-1502
Omar Joel Villegas-SolísLaboratorio de Química Medicinal y Teórica FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Campo 1 Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City, 54740, Mexico.
Víctor Hugo Vázquez-ValadezDepartamento de Ciencias Biológicas FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City, 54740, Mexico.ORCID 0000-0002-5014-0023
Aldo Yoshio Alarcón-LópezDepartamento de Ciencias Químicas FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City, 54740, Mexico.ORCID 0009-0008-1700-8582
Pablo A Martínez-SorianoDepartamento de Ciencias Químicas FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City, 54740, Mexico.ORCID 0000-0002-4635-8425
Jaqueline Ramos-SánchezLaboratorio de Biología Molecular e Inmunología de arbovirus, Unidad de Biomedicina, Facultad de Estudios Superiores Iztacala, Universidad Nacional Autónoma de México, Tlalnepantla, 54090, México.
Tannya Karen Castro-JiménezLaboratorio de Biología Molecular e Inmunología de arbovirus, Unidad de Biomedicina, Facultad de Estudios Superiores Iztacala, Universidad Nacional Autónoma de México, Tlalnepantla, 54090, México.
José Bustos-ArriagaLaboratorio de Biología Molecular e Inmunología de arbovirus, Unidad de Biomedicina, Facultad de Estudios Superiores Iztacala, Universidad Nacional Autónoma de México, Tlalnepantla, 54090, México.ORCID 0000-0002-7368-6432
Enrique AngelesDepartamento de Ciencias Químicas FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City, 54740, Mexico.ORCID 0000-0003-0068-322X

Funding

CONAHCYT 321878Consejo Nacional de Humanidades Ciencias y Tecnologías CF-2023-I-195PAPIIT Program UNAM IN206023PAPIIT Program UNAM IN215224PIAPI FESC-UNAM CI2406
6 · The paper itself

Abstract

Dengue, classified as a neglected tropical disease and transmitted by Aedes mosquitoes, remains a significant global health challenge, often evolving into severe clinical manifestations such as hemorrhagic fever. Despite its widespread impact, no antiviral therapy has been approved to date, highlighting the urgent need for effective and accessible treatment options. In the present work, computational analysis is performed on an in-house library of easily synthesized caffeic acid phenethyl ester analogs, which exhibit potential activity against the viral envelope (E) protein, a critical mediator of dengue virus entry and membrane fusion. Among them, LQM778 demonstrated consistent stability within the protein-ligand complex during molecular dynamics simulations. This finding provides a foundation for in vitro studies and future structural optimizations that could transform the landscape of antiviral development against dengue.

Indexed as

AmidesAntiviral AgentsCinnamatesDengue VirusMolecular Docking SimulationHumansMolecular Dynamics SimulationViral Envelope ProteinsAmidesAntiviral AgentsCinnamatescinnamic acidViral Envelope Proteinsdenguemolecular dynamicsvirtual screeningviruses

Identifiers

PMID40667807
PMCPMC12598814

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.