Year: 2025 | Month: January | Volume: 12 | Issue: 1 | Pages: 594-602
DOI: https://doi.org/10.52403/ijrr.20250167
Sophisticated in Silico Molecular Analysis of Tomato (Solanum lycopersicum L.) Extract for Modern Hypertension Therapy
Farhan Aqsha Alghani1, Muhammad Rifqi Al Azim1, Kevin Nathaniel Cuandra1, Agnes Putri Bahari2, Rauza Sukma Rita3
1Department of Medicine, Faculty of Medicine, Universitas Andalas, Padang, Sumatera Barat, Indonesia.
2Department of Biomedical Science, Faculty of Medicine, Universitas Andalas, Padang, Sumatera Barat, Indonesia.
3Department of Biochemistry, Faculty of Medicine, Universitas Andalas, Padang, Sumatera Barat, Indonesia.
Corresponding Author: Rauza Sukma Rita
ABSTRACT
Introduction: Hypertension is a dangerous disease and is called the "Silent Killer" because it can make people who suffer from it experience death. It’s a line with medication of hypertension can cause many serious side effects.
Methods: The research sample is obtained through the extraction of Oleic acid amide and Lycopene from tomatoes. After which the tomato fruit extract will be tested for its content using phytochemical tests and GCMS. Then an analysis of the compounds shown in the extract was carried out using the in silico method to decide the prediction of the interaction between the ligand and the active site of the target protein.
Results: Based on the phytochemical and GC-MS tests, it shows that tomato extract has three dominant metabolites. They are lycopene 10.93 RT-1 (min), oleic acid amide (Andogen 73) 28.75%, 9-octadecenoic acid 27.59 RT-1 (min) and etc. The docking results showed oleic acid amide has bigger binding affinity was 16.3 (kcal/mol). The results of the docking of oleic acid and captopril showed the best binding affinity values, namely -6.3 kcal/mol and -6.0 kcal/mol, respectively. The results show that more amino acid residues from oleic acid amide bonds with ACE are produced, indicating that the ligand is suitable for binding to the active site of the target protein. Consequently, oleic acid amide of tomato interacted more with the target protein as an antihypertensive than captopril. In other hand, lycopene was contributing to be anti-aggregation properties of hypertension patients.
Conclusion: It can be concluded that the oleic acid amide and lycopene in tomatoes has the potential to be a modern therapy for hypertensive patients. This aims to determine which metabolite compounds in tomato extract are more evidence at binding to target proteins as candidates on treating hypertension
Keywords: In Silico, Oleic Acid Amide, Lycopene, Tomato, Hypertension.
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