Putu Chandra Swandewi, - (2021) SKRINING METABOLIT SEKUNDER IKAN SIDAT (Anguilla bicolor bicolor) SEBAGAI ANTI-COVID-19 DENGAN METODE PENAMBATAN MOLEKULER. S1 thesis, Universitas Pendidikan Indonesia.
Abstract
ABSTRAK
Obat spesifik dari Coronavirus Disease 2019 (COVID-19) belum ditemukan, sehingga mendorong banyak peneliti dalam eksplorasi penemuan obat penyakit ini. Ikan Sidat (Anguilla bicolor bicolor) memiliki nilai gizi tinggi, tetapi data metabolomik ikan ini masih sangat sedikit. Penelitian ini bertujuan untuk mengetahui potensi senyawa metabolit sekunder pada ikan sidat dalam menambat Mpro SARS-CoV-2, RBD SARS-CoV-2, dan ACE2 menggunakan analisis penambatan molekuler. Lipinski’s Rule of Five juga dilakukan untuk mengetahui suatu senyawa dengan sifat senyawa obat. Nilai tertinggi afinitas pengikatan protein Mpro SARS-CoV-2, RBD SARS-CoV-2, dan ACE2 secara berurutan adalah Lithochol-11-Enic Acid sebesar -7.7 kkal/mol, Cholic Acid sebesar -6.8 kkal/mol, dan Iloprost -7.9 kkal/mol. Interaksi molekuler yang terjadi berupa ikatan hidrogen dan interaksi hidrofobik pada rongga pengikatan protein Mpro SARS-CoV-2 dan RBD SARS-CoV-2. Senyawa metabolit sekunder yang digunakan juga memenuhi kriteria Lipinski’s Rule of Five. Berdasarkan hasil penambatan molekuler menunjukkan bahwa Mpro SARS-CoV-2 dan RBD SARS-CoV-2 berhasil tertambat oleh senyawa metabolit sekunder pada ikan sidat. Hasil dari penelitian ini dapat dijadikan informasi dasar pemanfaatan metabolit sekunder pada ikan sidat dalam menambat infeksi virus SARS-CoV-2 pada manusia.
Kata kunci: Anguilla bicolor bicolor, COVID-19, Lipinski’s Rule of Five, penambatan molekuler, SARS-CoV-2
ABSTRACT
The specific drug for Coronavirus Disease 2019 (COVID-19) has not been found, which has prompted many researchers to explore drug discovery for this disease. Eel (Anguilla bicolor bicolor) has high nutritional value, but the metabolomic data of this fish is still low. This study aims to determine the potential of eel’s secondary metabolites in anchored Mpro SARS-CoV-2, RBD SARS-CoV-2, and ACE2 using molecular docking analysis. Lipinski's Rule of Five was also conducted to determine a compound with medicinal properties. The highest protein binding affinity values for Mpro SARS-CoV-2, RBD SARS-CoV-2, and ACE2 respectively were Lithochol-11-Enic Acid of -7.7 kcal/mol, Cholic Acid of -6.8 kcal/mol, and Iloprost -7.9 kcal/mol. Molecular interactions occur in the form of hydrogen bonds and hydrophobic interactions in the binding pocket of the Mpro SARS-CoV-2 and RBD SARS-CoV-2. The secondary metabolites used also meet Lipinski's Rule of Five criteria. Based on the results of molecular docking, it showed that Mpro SARS-CoV-2 and RBD SARS-CoV-2 were successfully anchored by secondary metabolites in eel. The results of this study can be used as basic information for the use of secondary metabolites in eel to inhibit SARS-CoV-2 virus infection in humans.
Keywords: Anguilla bicolor bicolor, COVID-19, Lipinski’s Rule of Five, molecular docking, SARS-CoV-2
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| Item Type: | Thesis (S1) |
|---|---|
| Uncontrolled Keywords: | Anguilla bicolor bicolor, COVID-19, Lipinski’s Rule of Five, molecular docking, SARS-CoV-2 |
| Subjects: | L Education > L Education (General) Q Science > QH Natural history > QH301 Biology |
| Divisions: | Fakultas Pendidikan Matematika dan Ilmu Pengetahuan Alam > Program Studi Biologi - S1 > Program Studi Biologi (non kependidikan) |
| Depositing User: | Putu Chandra Swandewi |
| Date Deposited: | 30 Aug 2021 02:21 |
| Last Modified: | 30 Aug 2021 02:21 |
| URI: | http://repository.upi.edu/id/eprint/64511 |
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