Evidence map›Paper›PMID 35983371›Full record

ArticleACS omega2022

Computational and Experimental Approaches Identify Beta-Blockers as Potential SARS-CoV-2 Spike Inhibitors.

Ana C Puhl, Melina Mottin, Carolina Q Sacramento, Tatyana Almeida Tavella, Gabriel Gonçalves Dias, Natalia Fintelman-Rodrigues, Jairo R Temerozo, Suelen S G Dias, Paulo Ricardo Pimenta da Silva Ramos, Eric M Merten and 6 more

Open access · goldAbstract read
In one paragraph

Article in ACS omega, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.

0numbers the graph read from it
0cells of the map it votes in
8citing papers in PubMed
1.0field-weighted citation impact, top 23% 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

8 citing papers in PubMed, 11 citations in OpenAlex.

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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

16 authors at 6 institutions in 2 countries.

Ana C PuhlCollaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States.ORCID https://orcid.org/0000-0002-1456-8882
Melina MottinLabMol - Laboratory of Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia 74605-170, GO, Brazil.
Carolina Q SacramentoLaboratory of Immunopharmacology, Oswaldo Cruz Institute-Fiocruz, Rio de Janeiro 21040-360, RJ, Brazil.
Tatyana Almeida TavellaLaboratory of Tropical Diseases-Prof. Dr. Luiz Jacinto da Silva, Department of Genetics, Evolution, Microbiology and Immunology, University of Campinas-UNICAMP, Campinas 13083-970, SP, Brazil.
Gabriel Gonçalves DiasLabMol - Laboratory of Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia 74605-170, GO, Brazil.
Natalia Fintelman-RodriguesLaboratory of Immunopharmacology, Oswaldo Cruz Institute-Fiocruz, Rio de Janeiro 21040-360, RJ, Brazil.
Jairo R TemerozoLaboratory on Thymus Research, Oswaldo Cruz Institute-Fiocruz, Rio de Janeiro 21040-900, RJ, Brazil.
Suelen S G DiasLaboratory of Immunopharmacology, Oswaldo Cruz Institute-Fiocruz, Rio de Janeiro 21040-360, RJ, Brazil.
Paulo Ricardo Pimenta da Silva RamosLabMol - Laboratory of Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia 74605-170, GO, Brazil.
Eric M MertenCenter for Integrative Chemical Biology and Drug Discovery, Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States.
Kenneth H PearceCenter for Integrative Chemical Biology and Drug Discovery, Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States.
Fabio Trindade Maranhão CostaLaboratory of Tropical Diseases-Prof. Dr. Luiz Jacinto da Silva, Department of Genetics, Evolution, Microbiology and Immunology, University of Campinas-UNICAMP, Campinas 13083-970, SP, Brazil.
Lakshmanane PremkumarDepartment of Microbiology and Immunology, University of North Carolina School of Medicine, Chapel Hill, North Carolina 27599, United States.
Thiago Moreno L SouzaLaboratory of Immunopharmacology, Oswaldo Cruz Institute-Fiocruz, Rio de Janeiro 21040-360, RJ, Brazil.
Carolina Horta AndradeLabMol - Laboratory of Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia 74605-170, GO, Brazil.ORCID https://orcid.org/0000-0003-0101-1492
Sean EkinsCollaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States.ORCID https://orcid.org/0000-0002-5691-5790
Fundação Oswaldo Cruz · BRUniversidade Federal de Goiás · BRUniversity of North Carolina at Chapel Hill · USCollaborations Pharmaceuticals (United States) · USUniversidade Estadual de Campinas (UNICAMP) · BRUniversidade de Brasília · BR

Funding

Centralized assay datasets for modelling support of small drug discovery organizationsR44GM122196 · NIGMS · COLLABORATIONS PHARMACEUTICALS, INC. · PI EKINS, SEAN · 2018 to 2022
$3.3M
MegaPredict for predicting natural product uses and their drug interactionsR43AT010585 · NCCIH · COLLABORATIONS PHARMACEUTICALS, INC. · PI EKINS, SEAN · 2019 to 2020
$225k
NCCIH NIH HHS R43 AT010585NIGMS NIH HHS R44 GM122196
6 · The paper itself

Abstract

Finding antivirals for SARS-CoV-2 is still a major challenge, and many computational and experimental approaches have been employed to find a solution to this problem. While the global vaccination campaigns are the primary driver of controlling the current pandemic, orally bioavailable small-molecule drugs and biologics are critical to overcome this global issue. Improved therapeutics and prophylactics are required to treat people with circulating and emerging new variants, addressing severe infection, and people with underlying or immunocompromised conditions. The SARS-CoV-2 envelope spike is a challenging target for viral entry inhibitors. Pindolol presented a good docking score in a previous virtual screening using computational docking calculations after screening a Food and Drug Administration (FDA)-approved drug library of 2400 molecules as potential candidates to block the SARS-CoV-2 spike protein interaction with the angiotensin-converting enzyme 2 (ACE-2). Here, we expanded the computational evaluation to identify five beta-blockers against SARS-CoV-2 using several techniques, such as microscale thermophoresis, NanoDSF, and

Identifiers

PMID35983371
PMCPMC9380819
OpenAlexW4292195911

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
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.