Integration of molecular docking analysis and molecular dynamics simulations for studying food proteins and bioactive peptides

A Vidal-Limon, JE Aguilar-Toalá… - Journal of agricultural …, 2022 - ACS Publications
In silico tools, such as molecular docking, are widely applied to study interactions and
binding affinity of biological activity of proteins and peptides. However, restricted sampling of …

Machine learning for antimicrobial peptide identification and design

F Wan, F Wong, JJ Collins… - Nature Reviews …, 2024 - nature.com
Artificial intelligence (AI) and machine learning (ML) models are being deployed in many
domains of society and have recently reached the field of drug discovery. Given the …

AIPs-SnTCN: Predicting anti-inflammatory peptides using fastText and transformer encoder-based hybrid word embedding with self-normalized temporal …

A Raza, J Uddin, A Almuhaimeed, S Akbar… - Journal of chemical …, 2023 - ACS Publications
Inflammation is a biologically resistant response to harmful stimuli, such as infection,
damaged cells, toxic chemicals, or tissue injuries. Its purpose is to eradicate pathogenic …

Machine intelligence in peptide therapeutics: A next‐generation tool for rapid disease screening

S Basith, B Manavalan, T Hwan Shin… - Medicinal research …, 2020 - Wiley Online Library
Discovery and development of biopeptides are time‐consuming, laborious, and dependent
on various factors. Data‐driven computational methods, especially machine learning (ML) …

Machine learning-driven multifunctional peptide engineering for sustained ocular drug delivery

HT Hsueh, RT Chou, U Rai, W Liyanage… - Nature …, 2023 - nature.com
Sustained drug delivery strategies have many potential benefits for treating a range of
diseases, particularly chronic diseases that require treatment for years. For many chronic …

Peptides and protein hydrolysates exhibiting anti-inflammatory activity: Sources, structural features and modulation mechanisms

J Rivera-Jiménez, C Berraquero-García… - Food & Function, 2022 - pubs.rsc.org
Inflammation is the response of the immune system to harmful stimuli such as tissue injury,
infection or toxic chemicals, which has the aim of eliminating irritants or pathogenic …

Review and perspective on bioactive peptides: A roadmap for research, development, and future opportunities

Z Du, Y Li - Journal of Agriculture and Food Research, 2022 - Elsevier
Bioactive peptides (BPs) possess a broad spectrum of beneficial effects, such as antioxidant,
antihypertensive, antidiabetic, anticancer, anti-inflammatory, antimicrobial, and anti-aging …

Meta-4mCpred: a sequence-based meta-predictor for accurate DNA 4mC site prediction using effective feature representation

B Manavalan, S Basith, TH Shin, L Wei… - Molecular Therapy Nucleic …, 2019 - cell.com
DNA N4-methylcytosine (4mC) is an important genetic modification and plays crucial roles in
differentiation between self and non-self DNA and in controlling DNA replication, cell cycle …

Strengths and limitations of in silico tools to assess physicochemical properties, bioactivity, and bioavailability of food-derived peptides

F Rivero-Pino, MC Millan-Linares… - Trends in Food Science …, 2023 - Elsevier
Background Bioactive peptides obtained from different food sources have been proved to
exert several bioactivities, such as antioxidant, antihypertensive, antimicrobial, or anti …

Advances in machine learning screening of food bioactive compounds

Y Zhang, X Bao, Y Zhu, Z Dai, Q Shen, Y Xue - Trends in Food Science & …, 2024 - Elsevier
Background Food contains abundant bioactive compounds that play a crucial role in human
health. However, conventional methods for screening food bioactive compounds (FBCs) are …