Evidence map›Paper›PMID 39691531›Full record

ArticleACS medicinal chemistry letters2024

Discovery of Non-Covalent Inhibitors for SARS-CoV-2 PLpro: Integrating Virtual Screening, Synthesis, and Experimental Validation.

Bruna K P Sousa, Melina Mottin, Donald Seanego, Christopher D Jurisch, Beatriz S A Rodrigues, Verônica L S da Silva, Milene Aparecida Andrade, Gilberto S Morais, Diogo F Boerin, Thamires Q Froes and 6 more

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in ACS medicinal chemistry letters, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Review
  2. 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

16 authors.

Bruna K P SousaCenter for the Research and Advancement in Fragments and Molecular Targets (CRAFT), Faculdade de Ciências Farmaceuticas de Ribeirão Preto, Universidade de São Paulo, Ribeirão Preto, São Paulo 05508-070, Brazil.
Melina MottinCenter for the Research and Advancement in Fragments and Molecular Targets (CRAFT), Faculdade de Ciências Farmaceuticas de Ribeirão Preto, Universidade de São Paulo, Ribeirão Preto, São Paulo 05508-070, Brazil.
Donald SeanegoHolistic Drug Discovery and Development Centre (H3D), University of Cape Town, Cape Town 7701, South Africa.
Christopher D JurischHolistic Drug Discovery and Development Centre (H3D), University of Cape Town, Cape Town 7701, South Africa.
Beatriz S A RodriguesPathogen-Host Interface Laboratory, Department of Cell Biology, University of Brasilia, Brasilia 73345-010, Brazil.
Verônica L S da SilvaPathogen-Host Interface Laboratory, Department of Cell Biology, University of Brasilia, Brasilia 73345-010, Brazil.
Milene Aparecida AndradePathogen-Host Interface Laboratory, Department of Cell Biology, University of Brasilia, Brasilia 73345-010, Brazil.
Gilberto S MoraisPathogen-Host Interface Laboratory, Department of Cell Biology, University of Brasilia, Brasilia 73345-010, Brazil.
Diogo F BoerinCenter for the Research and Advancement in Fragments and Molecular Targets (CRAFT), Faculdade de Ciências Farmaceuticas de Ribeirão Preto, Universidade de São Paulo, Ribeirão Preto, São Paulo 05508-070, Brazil.
Thamires Q FroesCenter for the Research and Advancement in Fragments and Molecular Targets (CRAFT), Faculdade de Ciências Farmaceuticas de Ribeirão Preto, Universidade de São Paulo, Ribeirão Preto, São Paulo 05508-070, Brazil.
Flávia Nader MottaPathogen-Host Interface Laboratory, Department of Cell Biology, University of Brasilia, Brasilia 73345-010, Brazil.
M Cristina NonatoCenter for the Research and Advancement in Fragments and Molecular Targets (CRAFT), Faculdade de Ciências Farmaceuticas de Ribeirão Preto, Universidade de São Paulo, Ribeirão Preto, São Paulo 05508-070, Brazil.
Izabela D M BastosPathogen-Host Interface Laboratory, Department of Cell Biology, University of Brasilia, Brasilia 73345-010, Brazil.
Kelly ChibaleHolistic Drug Discovery and Development Centre (H3D), University of Cape Town, Cape Town 7701, South Africa.ORCID https://orcid.org/0000-0002-1327-4727
Richard K GessnerHolistic Drug Discovery and Development Centre (H3D), University of Cape Town, Cape Town 7701, South Africa.
Carolina Horta AndradeCenter for the Research and Advancement in Fragments and Molecular Targets (CRAFT), Faculdade de Ciências Farmaceuticas de Ribeirão Preto, Universidade de São Paulo, Ribeirão Preto, São Paulo 05508-070, Brazil.ORCID https://orcid.org/0000-0003-0101-1492

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The SARS-CoV-2 pandemic has significantly challenged global public health, highlighting the need for effective therapeutic options. This study focuses on the papain-like protease (PLpro) of SARS-CoV-2, which is a critical enzyme for viral polyprotein processing, maturation, and immune evasion. We employed a combined approach that began with computational models in a virtual screening campaign, prioritizing compounds from our in-house chemical library against PLpro. Out of 81 virtual hits evaluated through enzymatic and biophysical assays, we identified a modest inhibitor featuring a naphthyridine core with an IC

Identifiers

PMID39691531
PMCPMC11647681

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Registered trials

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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.