Mohammad Wisnu Wardana, Salsa Bella Nasywa Subekti, Shabrina Dwi Ardinimia, Nur Halimah Putri Nirwana, Erma Eka Firnanda, Oktavia Nur Rahmatulloh, Mutiara Azfa Nabila, Ferdiansyah Setiawan, Nita Kusumawati, Pirim Setiarso, Asrul Bahar, Mahanani Tri Asri, Sunu Kuntjoro
Edible swiftlet's nest (ESN) is a widely used product in the food industry. The purpose of this study is to determine the profile of ESN fatty acids and their potential as antihypertensives using an in silico approach. Fatty acid composition analysis was performed by the GC-MS method. Lauric acid, myristic acid, palmitic acid, stearic acid, linoleic acid, and the control compound (captopril) were used as ligands, with angiotensin-converting enzyme (ACE) as the target protein in the molecular docking study. This research began with GC-FID analysis, followed by protein and ligand preparation, molecular docking, and visualization. Potential compound activity was then confirmed through Lipinski's rule analysis and drug similarity prediction using PASSOnline. The results showed that linoleic acid and oleic acid in the extract had potential as antihypertensive agents because they showed the highest binding affinity and good inhibition constants, close to the antihypertensive control compound (captopril), which were -5.88 and -5.59 kcal/mol synergistically, and the electrostatic energy was quite stable in interacting with the enzyme. PASSOnline prediction results indicated the potential of the extract as a vasodilator. This study opens up opportunities for further research development through in vitro and in vivo testing to reveal the significant potential of ESN in greater depth. © 2025 Author(s).
Department of Chemistry, Universitas Negeri Surabaya, Surabaya, 60231, Indonesia; Department of Family Welfare Education, Universitas Negeri Surabaya, Surabaya, 60231, Indonesia; Department of Biology, Universitas Negeri Surabaya, Surabaya, 60231, Indonesia
