GC-MS Analysis and In-silico Molecular Docking study of Skin Fruit Arabica Coffee (Coffea arabica L.) Methanol Extract as Mosquito Repellent
Malaria is an endemic disease that is still a problem globally, especially in countries with tropical and subtropical climates. People generally use mosquito repellents from synthetic materials, but they still cause effects and toxicity. Using active compounds from plants is an alternative to develo...
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| Format: | Article |
| Language: | Indonesian |
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Universitas Islam Negeri Raden Fatah Palembang
2023-08-01
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| Series: | Jurnal Biota |
| Subjects: | |
| Online Access: | http://jurnal.radenfatah.ac.id/index.php/biota/article/view/17589 |
| _version_ | 1827375803469398016 |
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| author | Rita Maliza Husna Fitri Bramadi Arya |
| author_facet | Rita Maliza Husna Fitri Bramadi Arya |
| author_sort | Rita Maliza |
| collection | DOAJ |
| description | Malaria is an endemic disease that is still a problem globally, especially in countries with tropical and subtropical climates. People generally use mosquito repellents from synthetic materials, but they still cause effects and toxicity. Using active compounds from plants is an alternative to developing mosquito repellents. The 30 active compounds from the GC-MS analysis of methanol extract of Arabica coffee skin fruit and we selected the highest percentage compound, namely n-Hexadecanoic acid, Caffeine, Hexadecanoic acid methyl ester, 3-O-Methyl-d-glucose and desulphosinigrin. The highest compounds were carried out by molecular docking with Odorant binding protein 1 (OBP1) as the protein target and N, N-Diethyl-3-methylbenzamide (DEET) as the native ligand. Desulphosinigrin has the highest binding affinity, which is -6.2 Kcal/mol, close to the native ligand DEET. It can be concluded that the active compound desulphosinigrin has the potential as a repellent. This study concludes that active compounds from the methanol extract of Arabica coffee skin have the potential as a repellent. |
| first_indexed | 2024-03-08T11:57:27Z |
| format | Article |
| id | doaj.art-4dea6c7b1bda4030b2a08bc6e8eb35bd |
| institution | Directory Open Access Journal |
| issn | 2528-262X 2460-7746 |
| language | Indonesian |
| last_indexed | 2024-03-08T11:57:27Z |
| publishDate | 2023-08-01 |
| publisher | Universitas Islam Negeri Raden Fatah Palembang |
| record_format | Article |
| series | Jurnal Biota |
| spelling | doaj.art-4dea6c7b1bda4030b2a08bc6e8eb35bd2024-01-23T23:06:27ZindUniversitas Islam Negeri Raden Fatah PalembangJurnal Biota2528-262X2460-77462023-08-019212713510.19109/Biota.v9i2.1758917589GC-MS Analysis and In-silico Molecular Docking study of Skin Fruit Arabica Coffee (Coffea arabica L.) Methanol Extract as Mosquito RepellentRita Maliza0Husna Fitri1Bramadi Arya2Department of Biology, Faculty of Mathematics and Natural Sciences, Andalas University, Padang, West Sumatra, IndonesiaMaster of Biomedical Sciences, Faculty of Medicine, Public Health and Nursing, Gadjah Mada University, Yogyakarta, IndonesiaDepartment of Biochemistry, Faculty of Science, Mahidol University, Bangkok, ThailandMalaria is an endemic disease that is still a problem globally, especially in countries with tropical and subtropical climates. People generally use mosquito repellents from synthetic materials, but they still cause effects and toxicity. Using active compounds from plants is an alternative to developing mosquito repellents. The 30 active compounds from the GC-MS analysis of methanol extract of Arabica coffee skin fruit and we selected the highest percentage compound, namely n-Hexadecanoic acid, Caffeine, Hexadecanoic acid methyl ester, 3-O-Methyl-d-glucose and desulphosinigrin. The highest compounds were carried out by molecular docking with Odorant binding protein 1 (OBP1) as the protein target and N, N-Diethyl-3-methylbenzamide (DEET) as the native ligand. Desulphosinigrin has the highest binding affinity, which is -6.2 Kcal/mol, close to the native ligand DEET. It can be concluded that the active compound desulphosinigrin has the potential as a repellent. This study concludes that active compounds from the methanol extract of Arabica coffee skin have the potential as a repellent.http://jurnal.radenfatah.ac.id/index.php/biota/article/view/17589anopheles sp; coffea arabica l; coffee skin fruit; malaria; repellent |
| spellingShingle | Rita Maliza Husna Fitri Bramadi Arya GC-MS Analysis and In-silico Molecular Docking study of Skin Fruit Arabica Coffee (Coffea arabica L.) Methanol Extract as Mosquito Repellent Jurnal Biota anopheles sp; coffea arabica l; coffee skin fruit; malaria; repellent |
| title | GC-MS Analysis and In-silico Molecular Docking study of Skin Fruit Arabica Coffee (Coffea arabica L.) Methanol Extract as Mosquito Repellent |
| title_full | GC-MS Analysis and In-silico Molecular Docking study of Skin Fruit Arabica Coffee (Coffea arabica L.) Methanol Extract as Mosquito Repellent |
| title_fullStr | GC-MS Analysis and In-silico Molecular Docking study of Skin Fruit Arabica Coffee (Coffea arabica L.) Methanol Extract as Mosquito Repellent |
| title_full_unstemmed | GC-MS Analysis and In-silico Molecular Docking study of Skin Fruit Arabica Coffee (Coffea arabica L.) Methanol Extract as Mosquito Repellent |
| title_short | GC-MS Analysis and In-silico Molecular Docking study of Skin Fruit Arabica Coffee (Coffea arabica L.) Methanol Extract as Mosquito Repellent |
| title_sort | gc ms analysis and in silico molecular docking study of skin fruit arabica coffee coffea arabica l methanol extract as mosquito repellent |
| topic | anopheles sp; coffea arabica l; coffee skin fruit; malaria; repellent |
| url | http://jurnal.radenfatah.ac.id/index.php/biota/article/view/17589 |
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