Computational Approaches for Antimicrobial Peptide Delivery DOI
Thuanny Borba Rios, Samilla B. Rezende, Mariana Rocha Maximiano

и другие.

Bioconjugate Chemistry, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 14, 2024

Peptides constitute alternative molecules for the treatment of infections caused by bacteria, viruses, fungi, and protozoa. However, their therapeutic effectiveness is often limited enzymatic degradation, chemical physical instability, toxicity toward healthy human cells. To improve pharmacokinetic (PK) pharmacodynamic (PD) profiles, novel routes administration are being explored. Among these, nanoparticles have shown promise as potential carriers peptides, although design delivery vehicles remains a slow painstaking process, heavily reliant on trial error. Recently, computational approaches been introduced to accelerate development effective drug systems peptides. Here we present an overview some these strategies discuss optimize delivery.

Язык: Английский

AI Methods for Antimicrobial Peptides: Progress and Challenges DOI Creative Commons
Carlos A. Brizuela, Gary Liu, J Stokes

и другие.

Microbial Biotechnology, Год журнала: 2025, Номер 18(1)

Опубликована: Янв. 1, 2025

ABSTRACT Antimicrobial peptides (AMPs) are promising candidates to combat multidrug‐resistant pathogens. However, the high cost of extensive wet‐lab screening has made AI methods for identifying and designing AMPs increasingly important, with machine learning (ML) techniques playing a crucial role. approaches have recently revolutionised this field by accelerating discovery new anti‐infective activity, particularly in preclinical mouse models. Initially, classical ML dominated field, but there been shift towards deep (DL) Despite significant contributions, existing reviews not thoroughly explored potential large language models (LLMs), graph neural networks (GNNs) structure‐guided AMP design. This review aims fill that gap providing comprehensive overview latest advancements, challenges opportunities using methods, particular emphasis on LLMs, GNNs We discuss limitations current highlight most relevant topics address coming years

Язык: Английский

Процитировано

3
A Novel Workflow for In Silico Prediction of Bioactive Peptides: An Exploration of Solanum lycopersicum By-Products DOI Creative Commons
Francesco Morena,

Chiara Cencini,

Eleonora Calzoni

и другие.

Biomolecules, Год журнала: 2024, Номер 14(8), С. 930 - 930

Опубликована: Июль 31, 2024

Resource-intensive processes currently hamper the discovery of bioactive peptides (BAPs) from food by-products. To streamline this process, in silico approaches present a promising alternative. This study presents novel computational workflow to predict peptide release, bioactivity, and bioavailability, significantly accelerating BAP discovery. The flowchart has been designed identify optimize critical enzymes involved protein hydrolysis but also incorporates multi-enzyme screening. feature is crucial for identifying most effective enzyme combinations that yield highest abundance BAPs across different classes (anticancer, antidiabetic, antihypertensive, anti-inflammatory, antimicrobial). Our process can be modulated extract diverse types efficiently same source. Here, we show potentiality our method identification by-products generated

Язык: Английский

Процитировано

8
PepFuNN: Novo Nordisk Open‐Source Toolkit to Enable Peptide in Silico Analysis DOI Creative Commons
Rodrigo Ochoa, Kristine Deibler

Journal of Peptide Science, Год журнала: 2025, Номер 31(2)

Опубликована: Янв. 7, 2025

ABSTRACT We present PepFuNN, a new open‐source version of the PepFun package with functions to study chemical space peptide libraries and perform structure–activity relationship analyses. PepFuNN is Python comprising five modules peptides natural amino acids and, in some cases, sequences non‐natural based on availability public monomer dictionary. The allow calculating physicochemical properties, performing similarity analysis using different representations, clustering molecular fingerprints or calculated descriptors, designing specific requirements, module dedicated extracting matched pairs from experimental campaigns guide selection most relevant mutations design rounds. code tutorials are available at https://github.com/novonordisk‐research/pepfunn .

Язык: Английский

Процитировано

0
Current Trends and Technological Advancements in the Study of Honey Bee-Derived Peptides with an Emphasis on State-of-the-Art Approaches: A Review DOI Creative Commons

Wissam K. Al-Rubaie,

Dhia F. Al‐Fekaiki, Alaa Kareem Niamah

и другие.

Separations, Год журнала: 2024, Номер 11(6), С. 166 - 166

Опубликована: Май 27, 2024

Honey is a natural product that used by large number of people because its distinctive compositional constituents, which have considerable impact on market value. The combination amino acids and sugars found in honey’s composition, along with peptide content, could potentially provide several benefits to human health. During the past few years, cutting-edge techniques been developed for purpose investigating, identifying, characterizing peptides are produced from honey bees. Therefore, this review examine current trends technological advancements study bee-derived peptides, focusing innovative methods. Furthermore, explores various attributes components, including defensin-1. In addition, investigates methods separating purifying as well factors affect these Additionally, defensin-1, bees, discussed antioxidant antimicrobial capabilities. focuses omic bee significance artificial intelligence tools their investigation. Consequently, paper delves into significant obstacles faced researchers scientists studying while also offering an extensive range fascinating opportunities possibilities future research those interested groundbreaking discoveries area.

Язык: Английский

Процитировано

2
Cathelicidins—a rich seam of antimicrobial peptides waiting for exploitation DOI Creative Commons
Alessandro Tossi, Marco Gerdol, Andrea Caporale

и другие.

Frontiers in Drug Discovery, Год журнала: 2024, Номер 4

Опубликована: Сен. 6, 2024

Cathelicidins are a ubiquitous family of host defence antimicrobial peptides in vertebrate animals. Unlike other peptide families, it is defined by large and relatively well conserved proregion rather than the mature bioactive themselves, which highly diverse conform to at least five different structural types, resulting distinct modes action. Cathelicidin-derived have pleiotropic role immunity, displaying both direct activity ability boost responses infection injury. The presence attached vast repertoire structurally functionally allows mining increasing number genomes for lead sequences potentially useful new anti-infective and/or immunomodulatory agents. This should increase cathelicidin-based entering clinical trials, has been limited date, despite considerable efforts last 2 decades.

Язык: Английский

Процитировано

2
Progress in the Identification and Design of Novel Antimicrobial Peptides Against Pathogenic Microorganisms DOI Creative Commons
Shengwei Sun

Probiotics and Antimicrobial Proteins, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 18, 2024

Язык: Английский

Процитировано

1
Bringing bioactive peptides into drug discovery: Challenges and opportunities for medicinal plants DOI
Shweta Thakur, Ashwani Punia,

Satyakam

и другие.

Industrial Crops and Products, Год журнала: 2024, Номер 222, С. 119855 - 119855

Опубликована: Окт. 19, 2024

Язык: Английский

Процитировано

0
Computational Approaches for Antimicrobial Peptide Delivery DOI
Thuanny Borba Rios, Samilla B. Rezende, Mariana Rocha Maximiano

и другие.

Bioconjugate Chemistry, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 14, 2024

Peptides constitute alternative molecules for the treatment of infections caused by bacteria, viruses, fungi, and protozoa. However, their therapeutic effectiveness is often limited enzymatic degradation, chemical physical instability, toxicity toward healthy human cells. To improve pharmacokinetic (PK) pharmacodynamic (PD) profiles, novel routes administration are being explored. Among these, nanoparticles have shown promise as potential carriers peptides, although design delivery vehicles remains a slow painstaking process, heavily reliant on trial error. Recently, computational approaches been introduced to accelerate development effective drug systems peptides. Here we present an overview some these strategies discuss optimize delivery.

Язык: Английский

Процитировано

0