The Potency of Water Clover (<I>Marsilea crenata</I> C. Presl.) Leaves as Anticholesterolemic Functional Foods Through <I>In Silico</I> Study
Highlight Research 1. There were 26 active compounds from water clover leaf extract that were identified using GC-MS 2. In silico approach was used to screen potential anticholesterolemic compounds from water clover leaf extract 3. Anticholesterolemic compounds from water clover leaf extract w...
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Faculty of Fisheries and Marine Universitas Airlangga
2023-01-01
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| Series: | Jurnal Ilmiah Perikanan dan Kelautan |
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| Online Access: | https://e-journal.unair.ac.id/JIPK/article/view/35338 |
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| author | Hardoko Hardoko Syahrani Nurul Mutmainannah |
| author_facet | Hardoko Hardoko Syahrani Nurul Mutmainannah |
| author_sort | Hardoko Hardoko |
| collection | DOAJ |
| description | Highlight Research
1. There were 26 active compounds from water clover leaf extract that were identified using GC-MS
2. In silico approach was used to screen potential anticholesterolemic compounds from water clover leaf extract
3. Anticholesterolemic compounds from water clover leaf extract were interacted with HMG-CoA reductase receptors and compared to native ligand and medicine
4. There were 6 potential anticholesterolemic compounds identified from water clover leaf extract
Abstract
Water clover (Marsilea crenata C. Presl.) is a widely available plant in Indonesia and often utilized as a traditional food ingredient. This plant is also traditionally believed to contain compounds that can decrease blood cholesterol. This study aimed to determine the compounds in water clover which have the potential to decrease blood cholesterol through inhibition of the HMG-CoA enzyme using in silico approach. This research was done in several steps, i.e., extraction using ethyl acetate solvent, identification of chemical compounds using GC-MS, and screening of compounds with potential to be anticholesterolemic agent through in silico using PyRx 0.8 (AutoDockVina and Open Babel GUI version 2.4.1), Discovery Studio Visualizer 2021, and PyMOLâ„¢ 1.7.4.5 software. Results showed that ethyl acetate extract of water clover contained 26 compounds, 6 of which were potential to be anticholesterolemic agent, i.e., phytol, 1,2-benzenedicarboxylic acid, 2,4-di- tert-butylphenol, diethyl phthalate, 1,2,3,4-tetramethylbenzene, and dipentene. Binding affinity values of those six compounds were lower than the native ligand of the HMG-CoA reductase, although still higher compared to pravastatin. The binding affinity value of pravastatin was -7.13 kcal/mol and the binding affinity value of 3-methyl glutaric acid as a native ligand was -5.33 kcal/mol, meanwhile, the lowest binding affinity value of compounds in water clover was phytol (-6.37 kcal/mol) and the highest was dipentene (-5.40 kcal/mol). Through in silico study, there were six compounds from water clover leaf's ethyl acetate extract that could inhibit the HMG-CoA reductase. Therefore, water clover leaf has the potential to become an anticholesterolemic functional food ingredient. |
| format | Article |
| id | doaj-art-d00761b5ed0f433d82eb1dffe37278ce |
| institution | OA Journals |
| issn | 2085-5842 2528-0759 |
| language | English |
| publishDate | 2023-01-01 |
| publisher | Faculty of Fisheries and Marine Universitas Airlangga |
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| series | Jurnal Ilmiah Perikanan dan Kelautan |
| spelling | doaj-art-d00761b5ed0f433d82eb1dffe37278ce2025-08-20T02:20:03ZengFaculty of Fisheries and Marine Universitas AirlanggaJurnal Ilmiah Perikanan dan Kelautan2085-58422528-07592023-01-0115113114110.20473/jipk.v15i1.3533833355The Potency of Water Clover (<I>Marsilea crenata</I> C. Presl.) Leaves as Anticholesterolemic Functional Foods Through <I>In Silico</I> StudyHardoko Hardoko0https://orcid.org/0000-0002-0395-9589Syahrani Nurul Mutmainannah1Fisheries Products Technology Study Program, Department of Fishery Resources Management, Faculty of Fisheries and Marine Sciences, Brawijaya University, Malang, East Java, 65145. IndonesiaFisheries Products Technology Study Program, Department of Fishery Resources Management, Faculty of Fisheries and Marine Sciences, Brawijaya University, Malang, East Java, 65145. IndonesiaHighlight Research 1. There were 26 active compounds from water clover leaf extract that were identified using GC-MS 2. In silico approach was used to screen potential anticholesterolemic compounds from water clover leaf extract 3. Anticholesterolemic compounds from water clover leaf extract were interacted with HMG-CoA reductase receptors and compared to native ligand and medicine 4. There were 6 potential anticholesterolemic compounds identified from water clover leaf extract Abstract Water clover (Marsilea crenata C. Presl.) is a widely available plant in Indonesia and often utilized as a traditional food ingredient. This plant is also traditionally believed to contain compounds that can decrease blood cholesterol. This study aimed to determine the compounds in water clover which have the potential to decrease blood cholesterol through inhibition of the HMG-CoA enzyme using in silico approach. This research was done in several steps, i.e., extraction using ethyl acetate solvent, identification of chemical compounds using GC-MS, and screening of compounds with potential to be anticholesterolemic agent through in silico using PyRx 0.8 (AutoDockVina and Open Babel GUI version 2.4.1), Discovery Studio Visualizer 2021, and PyMOLâ„¢ 1.7.4.5 software. Results showed that ethyl acetate extract of water clover contained 26 compounds, 6 of which were potential to be anticholesterolemic agent, i.e., phytol, 1,2-benzenedicarboxylic acid, 2,4-di- tert-butylphenol, diethyl phthalate, 1,2,3,4-tetramethylbenzene, and dipentene. Binding affinity values of those six compounds were lower than the native ligand of the HMG-CoA reductase, although still higher compared to pravastatin. The binding affinity value of pravastatin was -7.13 kcal/mol and the binding affinity value of 3-methyl glutaric acid as a native ligand was -5.33 kcal/mol, meanwhile, the lowest binding affinity value of compounds in water clover was phytol (-6.37 kcal/mol) and the highest was dipentene (-5.40 kcal/mol). Through in silico study, there were six compounds from water clover leaf's ethyl acetate extract that could inhibit the HMG-CoA reductase. Therefore, water clover leaf has the potential to become an anticholesterolemic functional food ingredient.https://e-journal.unair.ac.id/JIPK/article/view/35338binding affinityextracthmg-coa reductaseinhibition |
| spellingShingle | Hardoko Hardoko Syahrani Nurul Mutmainannah The Potency of Water Clover (<I>Marsilea crenata</I> C. Presl.) Leaves as Anticholesterolemic Functional Foods Through <I>In Silico</I> Study Jurnal Ilmiah Perikanan dan Kelautan binding affinity extract hmg-coa reductase inhibition |
| title | The Potency of Water Clover (<I>Marsilea crenata</I> C. Presl.) Leaves as Anticholesterolemic Functional Foods Through <I>In Silico</I> Study |
| title_full | The Potency of Water Clover (<I>Marsilea crenata</I> C. Presl.) Leaves as Anticholesterolemic Functional Foods Through <I>In Silico</I> Study |
| title_fullStr | The Potency of Water Clover (<I>Marsilea crenata</I> C. Presl.) Leaves as Anticholesterolemic Functional Foods Through <I>In Silico</I> Study |
| title_full_unstemmed | The Potency of Water Clover (<I>Marsilea crenata</I> C. Presl.) Leaves as Anticholesterolemic Functional Foods Through <I>In Silico</I> Study |
| title_short | The Potency of Water Clover (<I>Marsilea crenata</I> C. Presl.) Leaves as Anticholesterolemic Functional Foods Through <I>In Silico</I> Study |
| title_sort | potency of water clover i marsilea crenata i c presl leaves as anticholesterolemic functional foods through i in silico i study |
| topic | binding affinity extract hmg-coa reductase inhibition |
| url | https://e-journal.unair.ac.id/JIPK/article/view/35338 |
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