Evidence map›Paper›PMID 39452758›Full record

ArticlePathogens (Basel, Switzerland)2024

In Silico Identification of Potential Inhibitors of SARS-CoV-2 Main Protease (M

Manuel Alejandro Hernández-Serda, Víctor H Vázquez-Valadez, Pablo Aguirre-Vidal, Nathan M Markarian, José L Medina-Franco, Luis Alfonso Cardenas-Granados, Aldo Yoshio Alarcón-López, Pablo A Martínez-Soriano, Ana María Velázquez-Sánchez, Rodolfo E Falfán-Valencia and 2 more

Abstract read
In one paragraph

Article in Pathogens (Basel, Switzerland), 2024. 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. Review
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.

Manuel Alejandro Hernández-SerdaDepartamento de Ciencias Químicas FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City 54750, Mexico.ORCID 0009-0009-0702-1502
Víctor H Vázquez-ValadezDepartamento de Ciencias Biológicas FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City 54750, Mexico.ORCID 0000-0002-5014-0023
Pablo Aguirre-VidalLaboratorio de Química Medicinal y Teórica FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Campo 1 Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City 54750, Mexico.ORCID 0009-0001-0301-4593
Nathan M MarkarianSwine and Poultry Infectious Diseases Research Center (CRIPA), Research Group on Infectious Diseases in Production Animals (GREMIP), Faculty of Veterinary Medicine, University of Montreal, Saint-Hyacinthe, QC J2S 2M2, Canada.ORCID 0000-0001-8072-4268
José L Medina-FrancoDIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of Mexico, Av. Universidad 3000, Ciudad de México 04510, Mexico.ORCID 0000-0003-4940-1107
Luis Alfonso Cardenas-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 54750, Mexico.ORCID 0009-0004-8687-4143
Aldo Yoshio Alarcón-LópezDepartamento de Ciencias Químicas FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City 54750, 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 54750, Mexico.ORCID 0000-0002-4635-8425
Ana María Velázquez-SánchezDepartamento de Ciencias Químicas FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City 54750, Mexico.
Rodolfo E Falfán-ValenciaLaboratorio de Química Medicinal y Teórica FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Campo 1 Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City 54750, Mexico.
Enrique AngelesDepartamento de Ciencias Químicas FES Cuautitlán, Universidad Nacional Autónoma de México (UNAM), Av. 1 de Mayo SN Cuautitlán Izcalli, Mexico City 54750, Mexico.ORCID 0000-0003-0068-322X
Levon AbrahamyanSwine and Poultry Infectious Diseases Research Center (CRIPA), Research Group on Infectious Diseases in Production Animals (GREMIP), Faculty of Veterinary Medicine, University of Montreal, Saint-Hyacinthe, QC J2S 2M2, Canada.ORCID 0000-0002-0849-0134

Funding

Quebec Ministry of International Relations and Francophonie; Quebec-Mexico collaboration project (Groupe de travail Québec-Mexique, 2021-2023) RI000486
6 · The paper itself

Abstract

The ongoing Coronavirus Disease 19 (COVID-19) pandemic has had a profound impact on the global healthcare system. As the SARS-CoV-2 virus, responsible for this pandemic, continues to spread and develop mutations in its genetic material, new variants of interest (VOIs) and variants of concern (VOCs) are emerging. These outbreaks lead to a decrease in the efficacy of existing treatments such as vaccines or drugs, highlighting the urgency of new therapies for COVID-19. Therefore, in this study, we aimed to identify potential SARS-CoV-2 antivirals using a virtual screening protocol and molecular dynamics simulations. These techniques allowed us to predict the binding affinity of a database of compounds with the virus M

Indexed as

Antiviral AgentsCoronavirus 3C ProteasesCOVID-19 Drug TreatmentMolecular Dynamics SimulationProtease InhibitorsSARS-CoV-2Computer SimulationCOVID-19HumansMolecular Docking SimulationAntiviral AgentsCoronavirus 3C ProteasesProtease Inhibitors3CLproantiviralsMproNsp5SARS-CoV-2

Identifiers

PMID39452758
PMCPMC11510711

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.