Simulasi Docking Molekuler Senyawa Gingerol Jahe Merah, Eugenol dan Asam Oleanolat Cengkeh terhadap Neuraminidase (NA) pada Influenza Tipe A (H5N1)

Riantica, Elshinta (2021) Simulasi Docking Molekuler Senyawa Gingerol Jahe Merah, Eugenol dan Asam Oleanolat Cengkeh terhadap Neuraminidase (NA) pada Influenza Tipe A (H5N1). Undergraduate thesis, Institut Teknologi Sepuluh Nopember.

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Abstract

Influenza merupakan penyakit akibat infeksi virus yang dapat menyebabkan patogenitas dan gejala pernapasan akut hingga kematian. H5N1 adalah salah satu strain virus influenza yang perlu diwaspadai meskipun telah menjadi endemic di Indonesia. Virus influenza menginfeksi sel host melalui peran neuraminidase yang terdapat pada permukaan tubuh virus. Salah satu rekomendasi pengobatan untuk infeksi virus influenza adalah dengan menghambat kerja dari neuraminidase. Perkembangan penelitian terbaru mendeteksi adanya potensi dari senyawa herbal sebagai antivirus, oleh karena itu penelitian ini menggunakan senyawa herbal gingerol, eugenol, dan asam oleanolat yang dapat diisolasi dari jahe merah dan cengkeh untuk mengetahui potensinya sebagai inhibitor neuraminidase melalui pendekatan docking molekuler. Hasil yang diperoleh menunjukkan bahwa ketiga senyawa tersebut berpotensi sebagai inhibitor neuraminidase. Hal ini dibuktikan dengan adanya interaksi senyawa dengan situs aktif neuraminidase menghasilkan residu asam amino arginin, asam glutamat, asam aspartat, dan tirosin serta menghasilkan nilai energi docking berturut-turut dari yang paling besar, yaitu -8,0 kkal/mol pada asam oleanolat; -5,9 kkal/mol pada gingerol; dan -5,4 kkal/mol pada eugenol. Sedangkan untuk senyawa pembanding yang digunakan pada penelitian ini adalah oseltamivir dengan nilai energi docking sebesar -6,9 kkal/mol. ================================================================================================================== Influenza is a disease caused by a viral infection that can cause pathogenicity and acute respiratory symptoms to death. H5N1 is one of the influenza virus strains that needs to be watched out even though it has become endemic in Indonesia. Influenza viruses infect host cells through the role of neuraminidase on the surface of the virus body. One of the recommended treatment for influenza virus infection is to inhibit the action of neuraminidase. Recent research developments have detected the potential of herbal compounds as antivirals, therefore this study used herbal compounds gingerol, eugenol, and oleanolic acid which can be isolated from red ginger and cloves to determine their potential as neuraminidase inhibitors through a molecular docking approach. The results obtained indicate that the three compounds have the potential as neuraminidase inhibitors. This is evidenced by the interaction of the compound with the active site of neuraminidase producing amino acid residues of arginine, glutamic acid, aspartic acid, and tyrosine and generating docking energy values respectively from the largest -8.0 kcal/mol in oleanolic acid; -5.9 kcal/mol in gingerols; and -5.4 kcal/mol in eugenol. As for the comparison compound that used in this study was oseltamivir with a docking energy value of -6.9 kcal/mol.

Item Type: Thesis (Undergraduate)
Uncontrolled Keywords: Docking, Influenza, Inhibitor, Neuraminidase Docking, Influenza, Inhibitor, Neuraminidase
Subjects: Q Science
Q Science > QH Biology
R Medicine > R Medicine (General)
Divisions: Faculty of Science and Data Analytics (SCIENTICS) > Biology > 46201-(S1) Undergraduate Thesis
Depositing User: Elshinta Riantica
Date Deposited: 18 Aug 2021 05:11
Last Modified: 18 Aug 2021 05:11
URI: https://repository.its.ac.id/id/eprint/87850

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