Evidence map›Paper›PMID 34909143›Full record

ArticleChemical science2021

Rationalizing the generation of broad spectrum antibiotics with the addition of a positive charge.

Nandan Haloi, Archit Kumar Vasan, Emily J Geddes, Arjun Prasanna, Po-Chao Wen, William W Metcalf, Paul J Hergenrother, Emad Tajkhorshid

Open access · diamondAbstract read
In one paragraph

Article in Chemical science, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.

0numbers the graph read from it
0cells of the map it votes in
18citing papers in PubMed
1.9field-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

18 citing papers in PubMed, 30 citations in OpenAlex.

  1. Article
  2. Review
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  5. Article
  6. Fighting Antimicrobial Resistance: Innovative Drugs in Antibacterial Research.Angewandte Chemie (International ed. in English) · 2025
    Review
  7. Article
  8. Review
  9. General Installation of (4Journal of the American Chemical Society · 2024
    Article
  10. Article
  11. Article
  12. Article
  13. Article
  14. Article
  15. Article
  16. Article
  17. Article
  18. Role of internal loop dynamics in antibiotic permeability of outer membrane porins.Proceedings of the National Academy of Sciences of the United States of America · 2022
    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

8 authors at 1 institution in 1 country.

Nandan HaloiTheoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign Urbana IL 61801 USA emad@illinois.edu.ORCID https://orcid.org/0000-0003-3542-333X
Archit Kumar VasanTheoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign Urbana IL 61801 USA emad@illinois.edu.
Emily J GeddesDepartment of Chemistry, University of Illinois at Urbana-Champaign Urbana IL 61801 USA.
Arjun PrasannaCarl R. Woese Institute for Genomic Biology, University of Illinois at Urbana-Champaign Urbana IL 61801 USA.
Po-Chao WenTheoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign Urbana IL 61801 USA emad@illinois.edu.ORCID https://orcid.org/0000-0002-6049-6904
William W MetcalfCarl R. Woese Institute for Genomic Biology, University of Illinois at Urbana-Champaign Urbana IL 61801 USA.
Paul J HergenrotherDepartment of Chemistry, University of Illinois at Urbana-Champaign Urbana IL 61801 USA.ORCID https://orcid.org/0000-0001-9018-3581
Emad TajkhorshidTheoretical and Computational Biophysics Group, NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, Department of Biochemistry, Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign Urbana IL 61801 USA emad@illinois.edu.ORCID https://orcid.org/0000-0001-8434-1010
University of Illinois Urbana-Champaign · US

Funding

WHOLE CELL SIMULATIONP41GM104601 · NIGMS · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI TAJKHORSHID, EMAD · 2012 to 2021
$19.0M
Predictive Guidelines for Penetrance and Discovery of Broad-Spectrum AntibioticsR01AI136773 · NIAID · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI HERGENROTHER, PAUL · 2018 to 2022
$6.0M
Transformation of mitochondrial VDAC1 between protective and lethal statesR01HL131673 · NHLBI · MEDICAL COLLEGE OF WISCONSIN · PI CAMARA, AMADOU K., KWOK, WAI-MENG · 2017 to 2020
$2.8M
NHLBI NIH HHS R01 HL131673NIAID NIH HHS R01 AI136773NIGMS NIH HHS P41 GM104601
6 · The paper itself

Abstract

Antibiotic resistance of Gram-negative bacteria is largely attributed to the low permeability of their outer membrane (OM). Recently, we disclosed the eNTRy rules, a key lesson of which is that the introduction of a primary amine enhances OM permeation in certain contexts. To understand the molecular basis for this finding, we perform an extensive set of molecular dynamics (MD) simulations and free energy calculations comparing the permeation of aminated and amine-free antibiotic derivatives through the most abundant OM porin of

Identifiers

PMID34909143
PMCPMC8612397
OpenAlexW3206504265

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC
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.