Physics-based inverse design of new peptides selective for the bacterial peptidoglycan
Public support
Provider
Czech Science Foundation
Programme
Standard projects
Call for proposals
SGA0202600001
Main participants
Masarykova univerzita / Přírodovědecká fakulta
Contest type
VS - Public tender
Contract ID
26-20435S
Alternative language
Project name in Czech
Physics-based inverse design of new peptides selective for the bacterial peptidoglycan
Annotation in Czech
Bacterial drug resistance poses a public health threat demanding new therapeutic approaches. Endolysins—bacteriophage enzymes that selectively degrade the bacterial protective peptidoglycan (PG) layer—hold significant promise, yet their clinical potential is limited by their size, stability, pharmacokinetics, and incomplete understanding of their binding selectivity. This project will use a new methodological framework for the de novo design of peptides that selectively bind the PG of S. aureus bacteria—including drug-resistant strains—and can guide the endolysins' catalytic domain to their targets. We will develop and validate simulation atomistic models of S. aureus PG using endolysins with known selectivity. We will then employ molecular simulations and evolutionary algorithms for physics-based inverse design of new peptides with tailored affinity, followed by experimental validation using fluorescence microscopy. Project outcomes will advance the molecular understanding of endolysin–PG interactions and yield new peptide scaffolds, paving the way for next-generation enzybiotics.
Scientific branches
R&D category
ZV - Basic research
OECD FORD - main branch
10610 - Biophysics
OECD FORD - secondary branch
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OECD FORD - another secondary branch
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CEP - equivalent branches <br>(according to the <a href="http://www.vyzkum.cz/storage/att/E6EF7938F0E854BAE520AC119FB22E8D/Prevodnik_oboru_Frascati.pdf">converter</a>)
BO - Biophysics
Solution timeline
Realization period - beginning
Jan 1, 2026
Realization period - end
Dec 31, 2028
Project status
Z - Beginning multi-year project
Latest support payment
—
Data delivery to CEP
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data delivery code
CEP26-GA0-GA-R
Data delivery date
May 4, 2026
Finance
Total approved costs
7,198 thou. CZK
Public financial support
7,198 thou. CZK
Other public sources
0 thou. CZK
Non public and foreign sources
0 thou. CZK