Evidence map›Paper›PMID 35124513›Full record

ArticleBioorganic chemistry2022

Chalcones from Angelica keiskei (ashitaba) inhibit key Zika virus replication proteins.

Melina Mottin, Lindsay K Caesar, David Brodsky, Nathalya C M R Mesquita, Ketllyn Zagato de Oliveira, Gabriela Dias Noske, Bruna K P Sousa, Paulo R P S Ramos, Hannah Jarmer, Bonnie Loh and 10 more

Open access · greenAbstract read
In one paragraph

Article in Bioorganic chemistry, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.

0numbers the graph read from it
0cells of the map it votes in
20citing papers in PubMed
5.8field-weighted citation impact, top 3% 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

20 citing papers in PubMed, 29 citations in OpenAlex.

  1. Review
  2. Review
  3. Review
  4. Article
  5. Article
  6. Article
  7. Article
  8. Article
  9. Flavonoids with Anti-Angiogenesis Function in Cancer.Molecules (Basel, Switzerland) · 2024
    Review
  10. Article
  11. Review
  12. Article
  13. Article
  14. Review
  15. Pharmaceuticals (Basel, Switzerland) · 2023
    Article
  16. F1000Research · 2023
    Article
  17. Review
  18. Article
  19. Review
  20. 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

20 authors at 6 institutions in 2 countries.

Melina MottinLaboratory of Molecular Modeling and Drug Design, LabMol, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO, Brazil; Laboratório de Interação Patógeno-Hospedeiro, Instituto de Ciências Biológicas, Universidade de Brasília, Brasília, Brazil.
Lindsay K CaesarDepartment of Chemistry & Biochemistry, University of North Carolina Greensboro, NC, USA.
David BrodskyDepartment of Biological Sciences, and the Comparative Medicine Institute CAVE Program, North Carolina State University, Raleigh, NC, USA.
Nathalya C M R MesquitaSão Carlos Institute of Physics, University of São Paulo, São Carlos, SP, Brazil.
Ketllyn Zagato de OliveiraSão Carlos Institute of Physics, University of São Paulo, São Carlos, SP, Brazil.
Gabriela Dias NoskeDepartment of Biological Sciences, and the Comparative Medicine Institute CAVE Program, North Carolina State University, Raleigh, NC, USA.
Bruna K P SousaLaboratory of Molecular Modeling and Drug Design, LabMol, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO, Brazil.
Paulo R P S RamosLaboratory of Molecular Modeling and Drug Design, LabMol, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO, Brazil.
Hannah JarmerDepartment of Biological Sciences, and the Comparative Medicine Institute CAVE Program, North Carolina State University, Raleigh, NC, USA.
Bonnie LohDepartment of Biological Sciences, and the Comparative Medicine Institute CAVE Program, North Carolina State University, Raleigh, NC, USA.
Kimberley M ZornCollaborations Pharmaceuticals, Inc, NC, USA.
Daniel H FoilCollaborations Pharmaceuticals, Inc, NC, USA.
Pedro M TorresLaboratório de Modelagem e Dinâmica Molecular, Instituto de Biofísica Carlos Chagas Filho, Universidade Federal do Rio de Janeiro, Rio de Janeiro, Brazil.
Rafael V C GuidoSão Carlos Institute of Physics, University of São Paulo, São Carlos, SP, Brazil.
Glaucius OlivaSão Carlos Institute of Physics, University of São Paulo, São Carlos, SP, Brazil.
Frank ScholleDepartment of Biological Sciences, and the Comparative Medicine Institute CAVE Program, North Carolina State University, Raleigh, NC, USA.
Sean EkinsCollaborations Pharmaceuticals, Inc, NC, USA.
Nadja B CechDepartment of Chemistry & Biochemistry, University of North Carolina Greensboro, NC, USA.
Carolina H AndradeLaboratory of Molecular Modeling and Drug Design, LabMol, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO, Brazil. Electronic address: carolina@ufg.br.
Scott M LasterDepartment of Biological Sciences, and the Comparative Medicine Institute CAVE Program, North Carolina State University, Raleigh, NC, USA. Electronic address: smlaster@ncsu.edu.
North Carolina State University · USUniversidade de São Paulo · BRUniversidade Federal de Goiás · BRCollaborations Pharmaceuticals (United States) · USUniversity of North Carolina at Greensboro · USUniversidade Federal do Rio de Janeiro · 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
Strategies to Investigate Synergy in Botanical MedicinesR01AT006860 · NCCIH · UNIVERSITY OF NORTH CAROLINA GREENSBORO · PI CECH, NADJA B · 2013 to 2017
$1.8M
Predoctoral Training: Innovative Technologies for Natural Products and Integrative Medicine ResearchT32AT008938 · NCCIH · UNIVERSITY OF NORTH CAROLINA GREENSBORO · PI Nadja B Cech, Jonathan Rodi Chekan · 2016 to 2026
$1.6M
Centralized assay datasets for modelling support of small drug discovery organizationsR43GM122196 · NIGMS · COLLABORATIONS PHARMACEUTICALS, INC. · PI EKINS, SEAN · 2017 to 2017
$150k
NCCIH NIH HHS R01 AT006860NCCIH NIH HHS T32 AT008938NIGMS NIH HHS R43 GM122196NIGMS NIH HHS R44 GM122196
6 · The paper itself

Abstract

Zika virus (ZIKV) is a dangerous human pathogen and no antiviral drugs have been approved to date. The chalcones are a group of small molecules that are found in a number of different plants, including Angelica keiskei Koidzumi, also known as ashitaba. To examine chalcone anti-ZIKV activity, three chalcones, 4-hydroxyderricin (4HD), xanthoangelol (XA), and xanthoangelol-E (XA-E), were purified from a methanol-ethyl acetate extract from A. keiskei. Molecular and ensemble docking predicted that these chalcones would establish multiple interactions with residues in the catalytic and allosteric sites of ZIKV NS2B-NS3 protease, and in the allosteric site of the NS5 RNA-dependent RNA-polymerase (RdRp). Machine learning models also predicted 4HD, XA and XA-E as potential anti-ZIKV inhibitors. Enzymatic and kinetic assays confirmed chalcone inhibition of the ZIKV NS2B-NS3 protease allosteric site with IC

Indexed as

AngelicaChalconeChalconesZika VirusZika Virus InfectionAnimalsChlorocebus aethiopsHumansRNARNA-Dependent RNA PolymeraseVero CellsVirus ReplicationChalconeChalconesRNARNA-Dependent RNA PolymeraseAngelica keiskeiAshitabaChalconesPolymeraseProteaseZika virus

Identifiers

PMID35124513
PMCPMC9187613
OpenAlexW4210339468

What Socratic holds

Textmetadata
LicenceTDM
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.