Analisis In-Silico Senyawa pada Cuka Buah Pedada (Sonneratia alba) Tanpa Kulit sebagai Penghambat DNA Topoisomerase II

Irawan, Rian and Dr. Ir. Hardoko, MS (2022) Analisis In-Silico Senyawa pada Cuka Buah Pedada (Sonneratia alba) Tanpa Kulit sebagai Penghambat DNA Topoisomerase II. Sarjana thesis, Universitas Brawijaya.

Abstract

Mangrove merupakan tanaman sejati termasuk memiliki akar, batang, buah dan daun lengkap. Beragam macam mangrove yang memiliki buah ialah pedada (Sonneratia alba). Cuka buah pedada merupakan produk pangan fungsional yang terbuat dari fermentasi buah pedada yang memiliki banyak manfaat kesehatan seperti antioksidan, anti-kanker dan anti-tumor. Tumbuhan ini sendiri mengandung banyak senyawa bioaktif antara lain flavonoid, glikosida, tannin, dan fenol. Tujuan penelitian ini ialah untuk dapat mengetahui kandungan, potensi dan pemanfaatan senyawa bioaktif yang terdapat pada cuka buah mangrove (Sonneratia alba) tanpa kulit yang dapat menghambat enzim topoisomerase II. Bioaktivitas enzim topoisomerase II dalam tubuh yang berpotensi menghambat kanker dalam tubuh. Penelitian dimulai tanggal 02 September 2021 – 13 September 2021 di Gg. Situ Gintung no. 30 Kalipuro, Klatak Banyuwangi, Jawa Timur. Metode yang digunakan dalam penelitian ini ialah metode eksperimental. Eksperimen berupa analisis in silico. Tahap in silico akan menggunakan nilai ukur berupa nilai binding affinity disertakan dengan gambaran visual 2D dan 3D. Interaksi antara kontrol, ligan alami, dan senyawa bioaktif terhadap enzim topoisomerase ΙΙ. Hasilnya semakin rendah nilai binding affinity, senyawa aktif terhadap enzim yang diuji serta ikatan asam amino enzim oleh senyawa bioaktif akan meningkat. Hasil penelitian menghasilkan ada sedikitnya terdapat delapan jenis senyawa bioaktif cuka buah mangrove (Sonneratia alba) tanpa kulit menggunakan nilai puncak massa molekul LC kromatogram. Senyawa bioaktif yang teridentifikasi nilai binding affinity-nya lebih rendah dari pada nilai binding affinity control berupa obat doxorubicine pada enzim topoisomerase ΙΙ yaitu sebesar -9,4 ± 0,55 kkal/mol. Nilai binding affinity dari senyawa bioaktif tersebut pada enzim topoisomerase ΙΙ yaitu binding affinity loratadine senyawa teridentifikasi mendekati kontrol sebesar -8,1 ± 0,3 kkal/mol. Senyawa teridentifikasi lainnya yang mendekati moxifloxacin antara lain ceftiofur sebesar -7,5 ± 0,5 kkal/mol, 3-phenylindole sebesar -7 ± 0,15 kkal/mol, azoxystrobin acid sebesar -7,5 ± 0,5 kkal/mol. Kesimpulan dari penelitian ini bahwa cuka buah mangrove (Sonneratia alba) tanpa kulit memiliki senyawa bernama loratadine yang nilai efisien binding affinity mendekati control doxorubicine. Dengan pembanding moxifloxacin sebagai ligan alami maka terdapat ceftiofur, 3-phenylindole dan azoxystrobin acid yang nilainya mendekati. Hal tersebut ketiganya juga berpotensi dalam penghambatan enzim topoisomerase ΙΙ.

English Abstract

Mangrove is a real plant include for roots, stems, leafs and fruits. Many kinds of mangrove which have a fruit, one of them is pedada (Sonneratia alba). Pedada’s vinegar is a functional product which made from a fermentation process so that it would exactly has a bunch of benefit for the human body. For example, pedada’s vinegar focus on the health like anti-oxidant, anti-cancer and anti-tumor. This plant itself has so many flavonoid flavors, glycoside flavors and also fenol flavors. The purpose of this research is for the flavor of pedada’s vinegar which can inhibits the DNA Toposiomerase ΙΙ. And for containing the potency of Sonneratia alba as functional foods. Bioactivity of the enzyme of topoisomerase ΙΙ on the human body have potentials for inhibiting cancer disease. This research had been begun on Sept, 02 – 13th 2021 placed on the Situ Gintung street number 30 Kalipuro, Klatak Banyuwangi East Java. This method which being done by this research was experimental method. By mean, in silico analysis was the experimental method used. The phase of in silico would be using factors that was measuring value. This measuring value we used binding affinity’s value. And more, we would be visualizing 2D and 3D. Interaction among control, active ligand and bioactive flavors to the enzyme of topoisomerase ΙΙ. For the result of standardization was the lower of binding affinity’s value, the upper of effectiveness by bioactive flavors. And the chemical bond to the enzyme like the amino acid of enzyme to the ligand would be increased. The result of this study was at least had been gotten eight bioactive compounds using peak values LC chromatogram. Bioactive compound which been identified as lower the binding affinity’s value than control exactly was doxorubicine on the enzyme of topoisomerase ΙΙ was loratadine. The value of loratadine was -8,1 ± 0,3 kkal/mol which lower than the control with value of -9,4 ± 0,55 kkal/mol. Anothers were ceftiofur, 3-phenylindole and azoxystrobin acid where them were having the values close to moxifloxacin as active ligand. Ceftiofur was -7,5 ± 0,5 kkal/mol, 3-phenylindole was -7 ± 0,15 kkal/mol and azoxystrobin acid was -7,5 ± 0,5 kkal/mol. The conclusion of this study was pedada mangrove (Sonneratia alba) peel-off having loratadine as the most effectiveness bioactive compound with lower binding affinity’s value than control. Active ligand exactly was moxifloxacine with ceftiofur, 3-phenylindole and azoxystrobin acid which had their values close to binding affinity’s value of moxifloxacine.

Item Type:	Thesis (Sarjana)
Identification Number:	0522080620
Divisions:	Fakultas Perikanan dan Ilmu Kelautan > Teknologi Hasil Perikanan
Depositing User:	Sugeng Moelyono
Date Deposited:	15 Jan 2024 06:31
Last Modified:	15 Jan 2024 06:31
URI:	http://repository.ub.ac.id/id/eprint/210169

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