Evidence map›Paper›PMID 36922490›Full record

ArticleNature communications2023

Discovering highly potent antimicrobial peptides with deep generative model HydrAMP.

Paulina Szymczak, Marcin Możejko, Tomasz Grzegorzek, Radosław Jurczak, Marta Bauer, Damian Neubauer, Karol Sikora, Michał Michalski, Jacek Sroka, Piotr Setny and 2 more

Erratum issuedFull text read
In one paragraph

Article in Nature communications, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 110 papers, 2 of them syntheses that pooled it.

0numbers the graph read from it
0cells of the map it votes in
110citing papers in PubMed, 2 pooled it
–field-weighted citation impact
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

110 citing papers in PubMed, 2 syntheses or guidelines pooled it.

  1. Pooled it
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  4. Artificial intelligence catalyzes antimicrobial peptide design.Synthetic and systems biotechnology · 2027
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50 more citing papers are in PubMed but not listed here.

4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

12 authors.

Paulina Szymczak *Faculty of Mathematics, Informatics and Mechanics, University of Warsaw, Stefana Banacha 2, 02-097, Warsaw, Poland.ORCID http://orcid.org/0000-0001-8419-4006
Marcin Możejko *Faculty of Mathematics, Informatics and Mechanics, University of Warsaw, Stefana Banacha 2, 02-097, Warsaw, Poland.ORCID http://orcid.org/0000-0002-5631-0046
Tomasz GrzegorzekFaculty of Mathematics, Informatics and Mechanics, University of Warsaw, Stefana Banacha 2, 02-097, Warsaw, Poland.ORCID http://orcid.org/0000-0002-9720-4901
Radosław JurczakFaculty of Mathematics, Informatics and Mechanics, University of Warsaw, Stefana Banacha 2, 02-097, Warsaw, Poland.ORCID http://orcid.org/0000-0002-4956-3918
Marta BauerDepartment of Inorganic Chemistry, Faculty of Pharmacy, Medical University of Gdańsk, Al. Gen. J. Hallera 107, 80-416, Gdańsk, Poland.ORCID http://orcid.org/0000-0002-2036-4042
Damian NeubauerDepartment of Inorganic Chemistry, Faculty of Pharmacy, Medical University of Gdańsk, Al. Gen. J. Hallera 107, 80-416, Gdańsk, Poland.ORCID http://orcid.org/0000-0002-3230-6878
Karol SikoraDepartment of Inorganic Chemistry, Faculty of Pharmacy, Medical University of Gdańsk, Al. Gen. J. Hallera 107, 80-416, Gdańsk, Poland.ORCID http://orcid.org/0000-0003-0275-3017
Michał MichalskiThe Centre of New Technologies, University of Warsaw, Stefana Banacha 2c, 02-097, Warsaw, Poland.ORCID http://orcid.org/0000-0001-6969-2074
Jacek SrokaFaculty of Mathematics, Informatics and Mechanics, University of Warsaw, Stefana Banacha 2, 02-097, Warsaw, Poland.
Piotr SetnyThe Centre of New Technologies, University of Warsaw, Stefana Banacha 2c, 02-097, Warsaw, Poland.ORCID http://orcid.org/0000-0002-0769-0943
Wojciech KamyszDepartment of Inorganic Chemistry, Faculty of Pharmacy, Medical University of Gdańsk, Al. Gen. J. Hallera 107, 80-416, Gdańsk, Poland.ORCID http://orcid.org/0000-0001-5335-3043
Ewa SzczurekFaculty of Mathematics, Informatics and Mechanics, University of Warsaw, Stefana Banacha 2, 02-097, Warsaw, Poland. szczurek@mimuw.edu.pl.ORCID http://orcid.org/0000-0002-1320-6695

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Antimicrobial peptides emerge as compounds that can alleviate the global health hazard of antimicrobial resistance, prompting a need for novel computational approaches to peptide generation. Here, we propose HydrAMP, a conditional variational autoencoder that learns lower-dimensional, continuous representation of peptides and captures their antimicrobial properties. The model disentangles the learnt representation of a peptide from its antimicrobial conditions and leverages parameter-controlled creativity. HydrAMP is the first model that is directly optimized for diverse tasks, including unconstrained and analogue generation and outperforms other approaches in these tasks. An additional preselection procedure based on ranking of generated peptides and molecular dynamics simulations increases experimental validation rate. Wet-lab experiments on five bacterial strains confirm high activity of nine peptides generated as analogues of clinically relevant prototypes, as well as six analogues of an inactive peptide. HydrAMP enables generation of diverse and potent peptides, making a step towards resolving the antimicrobial resistance crisis.

Indexed as

Anti-Infective AgentsAntimicrobial Cationic PeptidesAntimicrobial PeptidesBacteriaAnti-Infective AgentsAntimicrobial Cationic PeptidesAntimicrobial Peptides

Identifiers

PMID36922490
PMCPMC10017685

What OpenQuestion holds

Textfull text, public
LicenceCC BY
reference markers read3
measurements read85
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.