Salsabila, Yofinta Imtinan (2024) Uji Pre-Klinis Trisindolina 5-Floro-3,3-Di(Metil Indol-5-Karboksilat)-3-Il)-2-Indolon Sebagai Antikanker Terhadap Sel Kanker Kandung Kemih BFTC-905 Melalui Pendekatan in silico dan in vitro. Masters thesis, Institut Teknologi Sepuluh Nopember.
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Abstract
Kanker kandung kemih adalah salah satu kanker yang menempati urutan sepuluh teratas diantara jenis kasus kanker yang lainnya sehingga pengembangan senyawa terapi masih terus dilakukan untuk mendapatkan suatu senyawa alternatif yang tidak bersifat toksik kepada sel normal dalam tubuh. Trisindolina 5 (T5) adalah salah satu senyawa modifikasi terbaru dari senyawa turunan indole Trisindolina yang dinilai memiliki potensi sebagai senyawa antikanker sehingga penelitian ini dilakukan untuk mengetahui serta menganalisis pengaruh yang ditimbulkan oleh senyawa T5 pada kanker kandung kemih ditinjau dengan pendekatan secara in silico maupun in vitro. Docking molekuler dan simulasi molecular dynamics dilakukan terhadap protein STAT3, IL-6, EGFR. Aktivitas sitotoksisitas T5 diuji pada kanker kandung kemih manusia BFTC-905 menggunakan Cell Counting Kit 8 (CCK8) assay untuk mengetahui nilai IC50 senyawa T5. 5-Fluorouracil (5-FU) dan cisplatin masing-masing digunakan pada penelitian ini sebagai senyawa kontrol positif pada uji in silico dan in vitro. Hasil prediksi secara docking molekuler adalah T5 membentuk interaksi yang baik dengan nilai binding affinity -10.2 kcal/mol. Pada proses simulasi Molecular Dynamics, T5 cenderung lebih mudah berinteraksi dengan protein reseptor IL-6 dan membentuk kompleks yang lebih stabil dengan nilai rata-rata total RMSD 2.453 ± 0.274 Å, nilai rata-rata RMSF 1.423 Å, nilai minimum Rg 16.684 Å2 dan maksimum Rg 17.095 Å2, dan nilai rata-rata energi bebas pengikatan MM-PBSA 110.037 ± 78.855 kJ/mol. Didapatkan analisa prediksi signaling pathway bahwa jalur utama ketiga protein saling berinteraksi adalah melalui JAK-STAT signaling pathway.T5 juga berpotensi dalam menjadi antikanker terhadap BFTC-905 cell line dengan nilai IC50 sebesar 33.95 μM. Kata Kunci: BFTC-905, docking molekuler, IC50, molecular dynamics, Trisindolina 5 (T5)
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Bladder cancer is one of the cancers that ranks in the top ten among other types of cancer cases so that the development of therapeutic compounds is still being carried out to obtain an alternative compound that is not toxic to normal cells in the body. Trisindoline 5 (T5) is one of the latest modified compounds of the indole derivative compound Trisindoline which is considered to have potential as an anticancer compound. Hence, this study was conducted to determine and analyze the effect caused by the T5 compound on bladder cancer reviewed with in silico and in vitro approaches. Molecular docking and molecular dynamics simulations were carried out against STAT3, IL-6, EGFR proteins. The cytotoxicity activity of T5 was tested on human bladder cancer BFTC-905 using Cell Counting Kit 8 (CCK8) assay to determine the IC50 value of T5 compound. 5-Fluorouracil (5-FU) and cisplatin were used in this study as positive control compounds in in silico and in vitro tests, respectively. The result of molecular docking prediction is that T5 forms a good interaction with a binding affinity value of -10.2 kcal/mol. In the Molecular Dynamics simulation process, T5 tends to interact more easily with IL-6 receptor proteins and form a stable complexes with a total average value of RMSD 2.453 ± 0.274 Å, average value of RMSF 1.423 Å, minimum value of Rg 16.684 Å2 and maximum Rg 17.095 Å2, and average value of free energy binding of MM-PBSA 110.037 ± 78.855 kJ/mol. The signaling pathway prediction analysis showed that the main way the three proteins interacted with each other was through the JAK-STAT signaling pathway. T5 also has the potential to be an anticancer against BFTC-905 cell line with an IC50 value of 33.95 μM. Keywords: BFTC-905, molecular docking, IC50, molecular dynamics, Trisindoline 5 (T5)
Dosen Pembimbing 1 132206270 - Dr. Awik Puji Dyah Nurhayati, S.Si.,M.Si
| Item Type: | Thesis (Masters) |
|---|---|
| Uncontrolled Keywords: | BFTC-905, docking molekuler, IC50, molecular dynamics, Trisindolina 5 (T5) BFTC-905, molecular docking, IC50, molecular dynamics, Trisindoline 5 (T5) |
| Subjects: | Q Science > QH Biology > QH301 Biology Q Science > QH Biology > QH541.15.T68 Toxicity testing Q Science > QP Physiology > QP624 Molecular biology. R Medicine > RC Internal medicine > RC0254 Neoplasms. Tumors. Oncology (including Cancer) R Medicine > RM Therapeutics. Pharmacology |
| Divisions: | Faculty of Science and Data Analytics (SCIENTICS) > Biology > 46101-(S2) Master Thesis |
| Depositing User: | Yofinta Imtinan Salsabila |
| Date Deposited: | 25 Jul 2024 04:00 |
| Last Modified: | 25 Jul 2024 04:00 |
| URI: | http://repository.its.ac.id/id/eprint/108825 |
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