Date of Completion
2021
Document Type
Thesis
Degree Name
Bachelor of Science in Biochemistry
Keywords
antimicrobial resistance, antibacterial, antiviral, bioactive peptides, peanut major allergens
Abstract
One of the problems in biomedical science is the emergence of antibiotic resistance among pathogenic microorganisms. This led to the exploration of potential alternative agents to combat this global concern. Bioactive peptides became interesting molecules to study against microorganisms due to its unique microbicidal mechanisms. In this study, the peanut (Arachis hypogaea) major allergens (Ara h 1 or A1, Ara h 2 or A2, and Ara h 3 or A3) were enzymatically hydrolyzed in silico to generate potential bioactive peptides, which were then screened for their antibacterial and antiviral probabilities using various computational tools. The determined probabilities were correlated with their hydropathicity index (GRAVY) using Spearman’s correlation. Sequentially, the residue-level interactions between the peptide and chosen proteins were visualized through molecular docking. Screening showed that the percentages of potential antibacterial and antiviral peptides using iAMPpred were higher than those screened using MLAMP and Meta-iAVP. Analysis revealed that positive monotonic correlations predominated between GRAVY values and bioactive probabilities obtained. Negligible correlations were obtained for antibacterial probabilities of the peptides derived from A1 and A3 using iAMPpred and antiviral probabilities of peptides from A1 and A3 using MetaiAVP and iAMPpred respectively. The antibacterial 393NAHTIVVA400 peptide (prob=0.92, GRAVY=1.138) and antiviral 64QCAGVA69 peptide (prob=1.00, GRAVY=1.067), both derived from A3, showed docking-based hydrophobic interactions with the S. aureus membrane enzyme and dengue virus-1 envelope protein respectively. These hydrophobic interactions were consistent with the correlated hydrophobicity of the bioactive peptides. Further work should focus on determining the in vitro antibacterial and antiviral activities of these peptides.
APA Citation
Aguila, W. I., Ortilano, R. P., & Revilla, A. T. (2021). In silico potential antibacterial and antiviral properties of the major allergen-derived bioactive peptides from Arachis hypogaea seeds. [Bachelor's thesis, De La Salle Medical and Health Sciences Institute]. GreenPrints. https://greenprints.dlshsi.edu.ph/bch/124