In Silico Evaluation of Soybean Protein as Bioactive Peptide for Anti-Thrombotic Agent by Molecular Docking Study

DOI

10.2991/978-94-6463-322-1_5How to use a DOI?

Keywords

anti-thrombotic peptide; food-derived bioactive peptide; molecular docking

Abstract

Cardiovascular Diseases (CVDs) are a growing global concern, including in Indonesia. By 2021, strokes were the leading cause of cardiovascular diseases (CVD), affecting 87% of the global population, while in 2018, 33.3% of Indonesians experienced CVD primarily due to strokes. Thrombolysis mediated by the α-thrombin (IIa) receptor and its interaction with coagulation factors in cardiac blood vessels underlies stroke development. Although chemical drugs like heparin are available, their potential side effects and adverse reactions are a concern. This study investigates the activity and interaction of anti-thrombotic bioactive peptides derived from soybean protein as potential thrombotic prevention agents, focusing on their role within food-derived bioactive peptides. Three peptides were identified, with the 7S globulin exhibiting the highest activity. Molecular docking analysis using PyMol, PyRx, and Discover Studio screened the peptides, showing no harmful peptides except for the β-conglycinin subunit variant that could potentially act as an allergen for individuals hypersensitive to β-conglycinin, as determined by ToxinPred and AlgPred analyses, while the DEE peptide demonstrated the highest binding affinity (-6.5 kcal/mol). This study highlights the potential of anti-thrombotic bioactive peptides from soybean protein as preventive agents against thrombosis, emphasizing the significance of the 7S globulin peptide and the superior binding affinity of the DEE peptide for potential therapeutic options in managing CVD-related complications.

Copyright

© 2023 The Author(s)

Open Access

Open Access This chapter is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/), which permits any noncommercial use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes were made.

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TY  - CONF
AU  - Fadilla Sherlyna
AU  - Muhammad Ilham Fahri
AU  - Arief Koeswanto
AU  - Dandan Wang
PY  - 2023
DA  - 2023/12/30
TI  - In Silico Evaluation of Soybean Protein as Bioactive Peptide for Anti-Thrombotic Agent by Molecular Docking Study
BT  - Proceedings of the Conference on Natural Resources And Life Sciences 2022 (NRLS-BIO 2022)
PB  - Atlantis Press
SP  - 39
EP  - 43
SN  - 2468-5747
UR  - https://doi.org/10.2991/978-94-6463-322-1_5
DO  - 10.2991/978-94-6463-322-1_5
ID  - Sherlyna2023
ER  -