Evidence map›Paper›PMID 36558945›Full record

ArticlePharmaceuticals (Basel, Switzerland)2022

Natural Compounds as Non-Nucleoside Inhibitors of Zika Virus Polymerase through Integration of In Silico and In Vitro Approaches.

Paulo Ricardo Pimenta da Silva Ramos, Melina Mottin, Caroline Sprengel Lima, Letícia R Assis, Ketllyn Zagato de Oliveira, Nathalya Cristina de Moraes Roso Mesquita, Natasha Marques Cassani, Igor Andrade Santos, Joyce Villa Verde Bastos Borba, Vinícius Alexandre Fiaia Costa and 6 more

Open access · goldAbstract read
In one paragraph

Article in Pharmaceuticals (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing papers in PubMed
2.0field-weighted citation impact, top 14% 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

4 citing papers in PubMed, 10 citations in OpenAlex.

  1. Article
  2. Article
  3. Article
  4. 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

16 authors at 4 institutions in 1 country.

Paulo Ricardo Pimenta da Silva RamosLabMol-Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiania 74605-170, Brazil.ORCID 0000-0001-6894-9077
Melina MottinLabMol-Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiania 74605-170, Brazil.ORCID 0000-0003-0878-9029
Caroline Sprengel LimaLaboratory of Antibiotics and Chemotherapeutics (LAC), Institute of Biosciences, Humanities and Exact Sciences, São Paulo State University (Unesp), Sao José do Rio Preto 15054-000, Brazil.ORCID 0000-0003-1798-8994
Letícia R AssisLaboratory of Antibiotics and Chemotherapeutics (LAC), Institute of Biosciences, Humanities and Exact Sciences, São Paulo State University (Unesp), Sao José do Rio Preto 15054-000, Brazil.
Ketllyn Zagato de OliveiraLaBEFar-Laboratory of Structural Biology and Drugs, Institute of Physics of São Carlos, University of São Paulo, Sao Carlos 13563-120, Brazil.
Nathalya Cristina de Moraes Roso MesquitaLaBEFar-Laboratory of Structural Biology and Drugs, Institute of Physics of São Carlos, University of São Paulo, Sao Carlos 13563-120, Brazil.
Natasha Marques CassaniLaboratory of Antiviral Research, Institute of Biomedical Science, Federal University of Uberlandia, Uberlandia 38405-302, Brazil.ORCID 0000-0001-9654-0957
Igor Andrade SantosLaboratory of Antiviral Research, Institute of Biomedical Science, Federal University of Uberlandia, Uberlandia 38405-302, Brazil.ORCID 0000-0001-7750-4045
Joyce Villa Verde Bastos BorbaLabMol-Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiania 74605-170, Brazil.ORCID 0000-0002-2663-5173
Vinícius Alexandre Fiaia CostaLabMol-Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiania 74605-170, Brazil.
Bruno Junior NevesLabMol-Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiania 74605-170, Brazil.ORCID 0000-0002-1309-8743
Rafael Victorio Carvalho GuidoLaBEFar-Laboratory of Structural Biology and Drugs, Institute of Physics of São Carlos, University of São Paulo, Sao Carlos 13563-120, Brazil.ORCID 0000-0002-7187-0818
Glaucius OlivaLaBEFar-Laboratory of Structural Biology and Drugs, Institute of Physics of São Carlos, University of São Paulo, Sao Carlos 13563-120, Brazil.ORCID 0000-0003-2719-0302
Ana Carolina Gomes JardimLaboratory of Antiviral Research, Institute of Biomedical Science, Federal University of Uberlandia, Uberlandia 38405-302, Brazil.ORCID 0000-0002-6348-7923
Luis Octávio RegasiniLaboratory of Antibiotics and Chemotherapeutics (LAC), Institute of Biosciences, Humanities and Exact Sciences, São Paulo State University (Unesp), Sao José do Rio Preto 15054-000, Brazil.
Carolina Horta AndradeLabMol-Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás, Goiania 74605-170, Brazil.ORCID 0000-0003-0101-1492
Universidade Federal de Goiás · BRUniversidade Federal de São Carlos · BRUniversidade Estadual Paulista (Unesp) · BRUniversidade Federal de Uberlândia · BR

Funding

Coordenação de Aperfeicoamento de Pessoal de Nível Superior Finance Code 001Fundação de Apoio a Pesquisa do Estado de Goiás 20171026700006, 20171026700006 and 202010267000272National Council for Scientific and Technological Development 300508/2017-4, 471129/2013-5, 306251/2016-7, 429322/2018-6, 300508/2017-4 and 150759/2017-7São Paulo Research Foundation 2013/07600-3, 2014/18330-0, 2018/15083-2, 2019/01762-8 and 2020/12904-5
6 · The paper itself

Abstract

Although the past epidemic of Zika virus (ZIKV) resulted in severe neurological consequences for infected infants and adults, there are still no approved drugs to treat ZIKV infection. In this study, we applied computational approaches to screen an in-house database of 77 natural and semi-synthetic compounds against ZIKV NS5 RNA-dependent RNA-polymerase (NS5 RdRp), an essential protein for viral RNA elongation during the replication process. For this purpose, we integrated computational approaches such as binding-site conservation, chemical space analysis and molecular docking. As a result, we prioritized nine virtual hits for experimental evaluation. Enzymatic assays confirmed that pedalitin and quercetin inhibited ZIKV NS5 RdRp with IC

Indexed as

antiviraldockingdrug discoveryflavonoidnon-nucleoside inhibitorNS5 RdRp proteinpedalitinpolymerasequercetinZika virus

Identifiers

PMID36558945
PMCPMC9788182
OpenAlexW4310378719

What Socratic 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 Socratic graph.