Large-scale mapping of bioactive peptides in structural and sequence space.

PLoS One

Departamento de Ciencia y Tecnología, Universidad Nacional de Quilmes, CONICET, Bernal, Argentina.

Published: February 2018

Health-enhancing potential bioactive peptide (BP) has driven an interest in food proteins as well as in the development of predictive methods. Research in this area has been especially active to use them as components in functional foods. Apparently, BPs do not have a given biological function in the containing proteins and they do not evolve under independent evolutionary constraints. In this work we performed a large-scale mapping of BPs in sequence and structural space. Using well curated BP deposited in BIOPEP database, we searched for exact matches in non-redundant sequences databases. Proteins containing BPs, were used in fold-recognition methods to predict the corresponding folds and BPs occurrences were mapped. We found that fold distribution of BP occurrences possibly reflects sequence relative abundance in databases. However, we also found that proteins with 5 or more than 5 BP in their sequences correspond to well populated protein folds, called superfolds. Also, we found that in well populated superfamilies, BPs tend to adopt similar locations in the protein fold, suggesting the existence of hotspots. We think that our results could contribute to the development of new bioinformatics pipeline to improve BP detection.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5774755PMC
http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0191063PLOS

Publication Analysis

Top Keywords

large-scale mapping
8
databases proteins
8
well populated
8
bps
5
mapping bioactive
4
bioactive peptides
4
peptides structural
4
structural sequence
4
sequence space
4
space health-enhancing
4

Similar Publications

Large-scale and long-term wildlife research and monitoring using camera traps: a continental synthesis.

Biol Rev Camb Philos Soc

January 2025

Wildlife Observatory of Australia (WildObs), Queensland Cyber Infrastructure Foundation (QCIF), Brisbane, Queensland, 4072, Australia.

Camera traps are widely used in wildlife research and monitoring, so it is imperative to understand their strengths, limitations, and potential for increasing impact. We investigated a decade of use of wildlife cameras (2012-2022) with a case study on Australian terrestrial vertebrates using a multifaceted approach. We (i) synthesised information from a literature review; (ii) conducted an online questionnaire of 132 professionals; (iii) hosted an in-person workshop of 28 leading experts representing academia, non-governmental organisations (NGOs), and government; and (iv) mapped camera trap usage based on all sources.

View Article and Find Full Text PDF

Quantifying liver-toxic responses from dose-dependent chemical exposures using a rat genome-scale metabolic model.

Toxicol Sci

January 2025

Department of Defense Biotechnology High Performance Computing Software Applications Institute, Telemedicine and Advanced Technology Research Center, U.S. Army Medical Research and Development Command, Fort Detrick, MD, 21702, USA.

Because the liver plays a vital role in the clearance of exogenous chemical compounds, it is susceptible to chemical-induced toxicity. Animal-based testing is routinely used to assess the hepatotoxic potential of chemicals. While large-scale high-throughput sequencing data can indicate the genes affected by chemical exposures, we need system-level approaches to interpret these changes.

View Article and Find Full Text PDF

Using damage functions to map heritage climatology at a global scale.

Sci Total Environ

January 2025

University College London, Central House, 14 Upper Woburn Place, London WC1H 0NN, UK. Electronic address:

This paper investigates heritage climatology through global analysis of damage functions for collections, aiming to learn about the reliability of these functions and the field itself. It addresses the growing interest in geospatial analysis of climate hazards for cultural heritage, proposing parameters that refine climate-related deterioration processes. Using global daily climate data from 1991 to 2020, the study assesses damage functions reliant on temperature and relative humidity inputs, including damage functions for paper and metals, alongside indices for humidity fluctuations and mould growth.

View Article and Find Full Text PDF

Surface Modification of Polyvinylidene Fluoride Latex Nanoparticles through Chain Entanglement by Poly(meth)acrylate Monomer Swelling Seeded Emulsion Polymerization.

Langmuir

January 2025

School of Chemistry and Chemical Engineering, State Key Laboratory of Polyolefins and Catalysis, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240, P. R. China.

Polyvinylidene fluoride (PVDF) latex nanoparticles serve as a versatile platform for surface modification due to their role as precursors in PVDF manufacturing. However, the strong chemical stability and poor compatibility of PVDF present significant challenges for effective surface modification. To address this, we developed a method that facilitates surface modification through chain entanglement.

View Article and Find Full Text PDF

Background: Alzheimer's disease (AD) is a serious neurodegenerative disorder without a clear understanding of pathophysiology. Recent experimental data have suggested neuronal excitation-inhibition (E-I) imbalance as an essential element of AD pathology, but E-I imbalance has not been systematically mapped out for either local or large-scale neuronal circuits in AD, precluding precise targeting of E-I imbalance in AD treatment.

Method: In this work, we apply a Multiscale Neural Model Inversion (MNMI) framework to the resting-state functional MRI data from the Alzheimer's Disease Neuroimaging Initiative (ADNI) to identify brain regions with disrupted E-I balance in a large network during AD progression.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!