Bioactive Peptides from Human Caseins - an in Silico Study: Prediction of Toxic, Antimicrobial, Anticancer, Antioxidant, and Anti-inflammatory Activities in α-S1, β, and K-casein Peptides

Abstract

Bioactive peptides are protein fragments with health-promoting effects released through enzymatic hydrolysis. Human milk caseins (α-S1, β, and κ) may generate peptides with diverse activities, including antimicrobial, antioxidant, antihypertensive, immunomodulatory, and anticancer effects. However, neonatal digestion is limited by gastric pH and breast milk inhibitors. This study evaluated the bioactive potential of human caseins using an in silico approach. Protein sequences from UniProtKB were digested with PeptideCutter (pepsin, pH > 2.0). Resulting peptides were screened against the BIOPEP-UWM database and analyzed with predictive platforms for general bioactivity, toxicity, and specific functions. β-casein, and to a lesser extent κ-casein, emerged as promising sources of bioactive peptides with low predicted toxicity. Identified fragments displayed multiple potential activities, partly consistent with experimental data, though most require in vitro validation. These findings highlight human caseins as valuable precursors of functional peptides with potential health applications.

Presenters

Diego Arturo Zavala Trejo
Student, PhD in Biotechnological Processes, University Center of Exact Sciences and Engineering, University of Guadalajara, Jalisco, Mexico

Ariana Rodríguez Arreola
Researcher, Pharmacobiology, Universidad de Guadalajara, Jalisco, Mexico

Blanca Rosa Aguilar Uscanga
Research Professor, Pharmacobiology, Universidad de Guadalajara, Centro Universitario de Ciencias Exactas e Ingenierías, Jalisco, Mexico

Josué Raymundo Solís Pacheco
Profesor, Pharmacobiology, Universidad de Guadadalajara, Mexico

Details

Presentation Type

Poster Session

Theme

Food, Nutrition, and Health

KEYWORDS

In silico, Casein, Bioactivity, Peptides