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All Journal Jurnal Keteknikan Pertanian Tropis dan Biosistem Biopendix: Jurnal Biologi, Pendidikan dan Terapan Indonesian Biodiversity Journal Abdimas Indonesian Journal Indonesian Biodiversity Journal German für Gesellschaft (J-Gefüge)
Simal, Rufiati
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Analysis Of The Potential Of Natural Sterol Compounds From Tin (Ficus carica) Leaves as Anti-Hypercholesterolemia with In Silico Tests Taihuttu, Monalisa Pertiwi Jeriska; Manurung, Brian Saputra; Simal, Rufiati; Watung, Fernando A.
Indonesian Biodiversity Journal Vol. 6 No. 1 (2025): April 2025
Publisher : Universitas Negeri Manado

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.53682/ibj.v6i1.11961

Abstract

This study aims to determine the potential of natural sterol compounds from Tin (Ficus carica) leaves as anticholesterolemic using in silico test. This study employed an in silico approach using molecular docking methods to evaluate the potential of sterol compounds as anti-hypercholesterolemic agents, in comparison to other references compounds. Data processing and interpretation were conducted using molecular databases for both ligands and target proteins. The analysis utilized several computational tools, including PyRx 0.8, PyMOL, LigPlus, and Discovery Studio 2016 Client. The compounds used in this research  were sterol, fluvastatin and simvastatin (as control), with HMG CoA reductase as the target protein. The results showed that the highest binding affinity value was fluvastatin which is -8.3 kcal/mol. Sterol compounds are compounds with lower binding affinity which is -7.7 kcal/mol. From the visualization results, it is known that the binding distance between sterol compounds with target proteins (HMG CoA reductase) is between 2.69 to 5.49 Å, and the binding distance between simvastatin compounds with target proteins (HMG CoA reductase) is between 2.76 to 5.36 Å, and the binding distance between fluvastatin compounds with target proteins (HMG CoA reductase) is between 1.95 to 5.26 Armstrong. While based on the comparison of the binding side of strerol, simvastatin and fluvastatin, it is known that the three compounds have the same site because they bind to the same amino acid residues, namely ARG (B: 515), TYR (A: 533), TYR (B: 533), TYR (B: 517), PRO (A: 511). The results of this research indicate that the natural sterol compounds found in Tin (Ficus carica) leaves have potential as anti-hypercholesterolemic agents, based on reverse docking analysis. These sterol compounds bind to the same active site as the control drugs, simvastatin and fluvastatin, and exhibit comparable binding affinity values
Co-Authors Apituley, Vicktor Henry Rony Baysi, Asmawati Rahma Elly, Sovian Sesca Fernando Andre Watung Ferymon Mahulette, Ferymon Kahar, Siti Rahmawati Karepesina, Fitriah Husna Karuwal, Ritha Khusnaini, Mukh Latumainasse, Anisa Latupeirissa, Louvenska N Latupeirissa, Louvenska Nona Manuhuttu, Debi Lisa Manurung, Brian Saputra Mautang, Hizkia G. Mautang, Hizkia Gymnastic Pattiasina, Eifan Boyke Raharusun, Ayu Ningsih Ratusehaka, Nopri Salmanu, Sriyanti Imelda Aksamina Sangur, Kristin Smith, Alwi Suryaningrum, Sumarah Taihuttu, Monalisa Pertiwi Jeriska Tomasoa, Yellia Tuapattinaya, Prelly M Tuapattinaya, Prelly Marsell Jolanda Warella, Juen Carla