Evidence map›Paper›PMID 34161756›Full record

ArticleStructure (London, England : 1993)2021

Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease.

Maya G Deshmukh, Joseph A Ippolito, Chun-Hui Zhang, Elizabeth A Stone, Raquel A Reilly, Scott J Miller, William L Jorgensen, Karen S Anderson

Open access · bronzeAbstract read
In one paragraph

Article in Structure (London, England : 1993), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 33 papers.

0numbers the graph read from it
0cells of the map it votes in
33citing papers in PubMed
7.8field-weighted citation impact, top 2% 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

33 citing papers in PubMed, 63 citations in OpenAlex.

  1. Article
  2. Polaris Challenge: Data-Driven Priors to Improve Docking for Pose Prediction.Journal of chemical information and modeling · 2025
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  6. Proof-of-concept studies with a computationally designed MProceedings of the National Academy of Sciences of the United States of America · 2024
    Article
  7. Review
  8. Acta pharmaceutica Sinica. B · 2024
    Review
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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

8 authors at 1 institution in 1 country.

Maya G DeshmukhMedical Scientist Training Program (MD-PhD), Yale School of Medicine, New Haven, CT, USA; Department of Pharmacology, Yale University School of Medicine, New Haven, CT 06520-8066, USA.
Joseph A IppolitoDepartment of Chemistry, Yale University, New Haven, CT 06520-8107, USA.
Chun-Hui ZhangDepartment of Chemistry, Yale University, New Haven, CT 06520-8107, USA.
Elizabeth A StoneDepartment of Chemistry, Yale University, New Haven, CT 06520-8107, USA.
Raquel A ReillyDepartment of Pharmacology, Yale University School of Medicine, New Haven, CT 06520-8066, USA.
Scott J MillerDepartment of Chemistry, Yale University, New Haven, CT 06520-8107, USA.
William L JorgensenDepartment of Chemistry, Yale University, New Haven, CT 06520-8107, USA.
Karen S AndersonDepartment of Pharmacology, Yale University School of Medicine, New Haven, CT 06520-8066, USA; Department of Molecular Biophysics and Biochemistry, Yale University School of Medicine, New Haven, CT 06520-8066, USA. Electronic address: karen.anderson@yale.edu.
Yale University · US

Funding

X-ray Scattering Technology CoreP30GM133893 · NIGMS · BROOKHAVEN SCIENCE ASSOC-BROOKHAVEN LAB · PI Sean McSweeney · 2019 to 2026
$38.6M
User Training and OutreachP30GM124165 · NIGMS · CORNELL UNIVERSITY · PI MALCOLM S. CAPEL · 2018 to 2026
$34.2M
Medical Scientist Training ProgramT32GM136651 · NIGMS · YALE UNIVERSITY · PI BARBARA I KAZMIERCZAK · 2020 to 2026
$16.5M
PREDOCTORAL PROGRAM IN BIOPHYSICST32GM008283 · NIGMS · YALE UNIVERSITY · PI XIONG, YONG · 1988 to 2022
$10.5M
POTENTIAL FUNCTIONS FOR WATER PROTEIN INTERACTIONSR01GM032136 · NIGMS · YALE UNIVERSITY · PI JORGENSEN, WILLIAM L. · 1985 to 2023
$8.2M
Site-Selective Catalysis for Bioactive Scaffold DiversificationR35GM132092 · NIGMS · YALE UNIVERSITY · PI Scott J Miller · 2019 to 2026
$6.3M
Molecular determinants of hepatitis C virus assemblyR01AI087925 · NIAID · YALE UNIVERSITY · PI LINDENBACH, BRETT D. · 2010 to 2020
$4.1M
Predoctoral Program in BiophysicsT32GM149438 · NIGMS · YALE UNIVERSITY · PI Yong Xiong, Elsa Chui Ying Yan · 2023 to 2026
$2.6M
Pixel Array Detector for Macromolecular CrystallographyS10OD021527 · OD · CORNELL UNIVERSITY · PI EALICK, STEVEN E · 2016 to 2016
$2.0M
NIAID NIH HHS R01 AI087925NIGMS NIH HHS P30 GM124165NIGMS NIH HHS P30 GM133893NIGMS NIH HHS R01 GM032136NIGMS NIH HHS R35 GM132092NIGMS NIH HHS T32 GM008283NIGMS NIH HHS T32 GM136651NIGMS NIH HHS T32 GM149438NIH HHS S10 OD021527
6 · The paper itself

Abstract

There is a clinical need for direct-acting antivirals targeting SARS-CoV-2, the coronavirus responsible for the COVID-19 pandemic, to complement current therapeutic strategies. The main protease (M

Indexed as

Antiviral AgentsCatalytic DomainCoronavirus 3C ProteasesCOVID-19COVID-19 Drug TreatmentDrug DesignMolecular Dynamics SimulationMolecular StructureNitrilesProtease InhibitorsProtein ConformationProtein MultimerizationPyridonesSARS-CoV-23C-like proteinase, SARS-CoV-2Antiviral AgentsCoronavirus 3C ProteasesNitrilesperampanelProtease InhibitorsPyridones3CL main protease3CL M(pro)drug designenzyme kineticsprotease inhibitorSARS-CoV-2X-ray crystallography

Identifiers

PMID34161756
PMCPMC8218531
OpenAlexW3174931853

What OpenQuestion holds

Textmetadata
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.