Evidence map›Paper›PMID 35821746›Full record

ArticleACS pharmacology & translational science2022

Allosteric Binders of ACE2 Are Promising Anti-SARS-CoV-2 Agents.

Joshua E Hochuli, Sankalp Jain, Cleber Melo-Filho, Zoe L Sessions, Tesia Bobrowski, Jun Choe, Johnny Zheng, Richard Eastman, Daniel C Talley, Ganesha Rai and 5 more

Open access · greenAbstract read
In one paragraph

Article in ACS pharmacology & translational science, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.

0numbers the graph read from it
0cells of the map it votes in
14citing papers in PubMed
2.0field-weighted citation impact, top 12% 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

14 citing papers in PubMed, 21 citations in OpenAlex.

  1. A Hybrid Experimental and in silico Platform for ITPK1 Chemical Probe Discovery.SLAS discovery : advancing life sciences R & D · 2026
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  10. Bioinformatics Study of Flavonoids From GenusAdvances and applications in bioinformatics and chemistry : AABC · 2024
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4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

15 authors at 2 institutions in 1 country.

Joshua E HochuliMolecular Modeling Laboratory, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States.
Sankalp JainNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland 20850, United States.
Cleber Melo-FilhoMolecular Modeling Laboratory, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States.
Zoe L SessionsMolecular Modeling Laboratory, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States.
Tesia BobrowskiMolecular Modeling Laboratory, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States.
Jun ChoeNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland 20850, United States.ORCID https://orcid.org/0000-0002-3389-5969
Johnny ZhengNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland 20850, United States.
Richard EastmanNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland 20850, United States.ORCID https://orcid.org/0000-0003-3580-380X
Daniel C TalleyNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland 20850, United States.
Ganesha RaiNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland 20850, United States.ORCID https://orcid.org/0000-0001-9763-9641
Anton SimeonovNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland 20850, United States.
Alexander TropshaMolecular Modeling Laboratory, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States.ORCID https://orcid.org/0000-0003-3802-8896
Eugene N MuratovMolecular Modeling Laboratory, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States.ORCID https://orcid.org/0000-0003-4616-7036
Bolormaa BaljinnyamNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland 20850, United States.
Alexey V ZakharovNational Center for Advancing Translational Sciences, National Institutes of Health, Rockville, Maryland 20850, United States.ORCID https://orcid.org/0000-0003-2466-1711
National Institutes of Health · USUniversity of North Carolina at Chapel Hill · US

Funding

Research Project 1: Coronavirus antiviral lead development and combination testingU19AI171292 · NIAID · UNIV OF NORTH CAROLINA CHAPEL HILL · PI BARIC, RALPH S, WILLSON, TIMOTHY M · 2022 to 2022
$65.5M
MOLECULAR AND CELLULAR BIOPHYSICS TRAINING PROGRAMT32GM008570 · NIGMS · UNIV OF NORTH CAROLINA CHAPEL HILL · PI KUHLMAN, BRIAN A, SLEP, KEVIN C · 1995 to 2022
$5.1M
Enabling the Accelerated Discovery of Novel Chemical Probes by Integration of Crystallographic, Computational, and Synthetic Chemistry ApproachesR01GM140154 · NIGMS · UNIV OF NORTH CAROLINA CHAPEL HILL · PI TROPSHA, ALEXANDER, WILLSON, TIMOTHY M · 2021 to 2024
$2.4M
NIAID NIH HHS U19 AI171292NIGMS NIH HHS R01 GM140154NIGMS NIH HHS T32 GM008570
6 · The paper itself

Abstract

The COVID-19 pandemic has had enormous health, economic, and social consequences. Vaccines have been successful in reducing rates of infection and hospitalization, but there is still a need for acute treatment of the disease. We investigate whether compounds that bind the human angiotensin-converting enzyme 2 (ACE2) protein can decrease SARS-CoV-2 replication without impacting ACE2's natural enzymatic function. Initial screening of a diversity library resulted in hit compounds active in an ACE2-binding assay, which showed little inhibition of ACE2 enzymatic activity (116 actives, success rate ∼4%), suggesting they were allosteric binders. Subsequent application of in silico techniques boosted success rates to ∼14% and resulted in 73 novel confirmed ACE2 binders with

Identifiers

PMID35821746
PMCPMC9236207
OpenAlexW4283273107

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.