| Issue |
BIO Web Conf.
Volume 198, 2025
5th ASEAN Microbial Biotechnology Conference (AMBC 2025)
|
|
|---|---|---|
| Article Number | 03003 | |
| Number of page(s) | 6 | |
| Section | Bioinformatics and Computational Biology | |
| DOI | https://doi.org/10.1051/bioconf/202519803003 | |
| Published online | 03 December 2025 | |
Molecular Docking Analysis of Egg Yolk, Soy Lecithin, and Phospholipids Compounds as Extenders for Bovine Semen
1 Study Program of Reproductive Biology, Graduate School, IPB University, Indonesia
2 Research Center for Applied Zoology, National Research and Innovation Agency Jalan Raya Jakarta - Bogor KM 46, Cibinong, Bogor 16911, West Java, Indonesia
3 Division of Reproduction and Obstetrics, Department of Veterinary Clinic, Reproduction, and Pathology, School of Veterinary Medicine and Biomedical Sciences, IPB University Kampus IPB Dramaga, Bogor 16680, West Java, Indonesia
* Corresponding author: This email address is being protected from spambots. You need JavaScript enabled to view it.
Molecular docking is a widely applied in silico approach for predicting interactions between bioactive compounds and biological targets. This study evaluated the potential of egg yolk, soy lecithin, and phospholipids as bovine semen extenders through docking simulations with fertility-associated proteins. Three-dimensional structures of the compounds were retrieved from the PubChem database, while protein models were generated using homology modelling via the SWISS-MODEL server. Ligands were prepared with PyRx 8.0, and protein structures were refined using Biovia Discovery Studio 2019 by removing water molecules and non-essential ligands to improve docking accuracy. Docking analysis revealed variable binding affinities (AG, kcal/mol) with BSP1, CRISP3, GPX4, PRM1, SOD2, and SPADH. The strongest interaction was observed between soy lecithin and CRISP3 (-5.6 kcal/mol), whereas SPADH showed consistently stable binding with all three compounds (-5.1 to -5.3 kcal/mol). Egg yolk compounds also displayed favorable and consistent affinities, particularly with CRISP3 (-5.2 kcal/mol) and BSP1 (-5.1 kcal/mol). In conclusion, bioactive molecules from egg yolk, soy lecithin, and phospholipids demonstrated promising interactions with fertility-related proteins, highlighting their potential use in the development of bovine semen extender formulations.
© The Authors, published by EDP Sciences, 2025
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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