Sukma, Chindy Melati (2019) Docking Molekuler Senyawa Alkaloida (Trisindolina dan SA2014) terhadap Protein p53 Termutasi Residu 273. Other thesis, Institut Teknologi Sepuluh Nopember.
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Abstract
p53 adalah protein yang menginduksi apoptosis ketika terjadi kerusakan DNA. Protein p53 yang mengalami mutasi terlibat pada lebih dari 50% jenis kanker sehingga diperlukan senyawa stabilisator p53 termutasi. Beberapa contoh senyawa tersebut adalah Trisindolina dan SA2014. Tujuan penelitian ini adalah mengetahui perbedaan skor docking dan asam amino yang berperan dalam aktivitas senyawa alkaloida Trisindolina dan SA2014 terhadap protein p53. Metode yang digunakan adalah metode docking molekuler AutoDock Vina di dalam PyRx, preparasi protein menggunakan aplikasi YASARA, preparasi ligan menggunakan MarvinSketch dan Open Babel, dan visualisasi menggunakan YASARA dan VMD (Visual Molecular Dynamic). Analisa data dilakukan dengan menggunakan skor docking yang dibandingkan dengan doxorubicin serta residu asam amino pada interaksi ligan uji dan protein target. Hasil penelitian menyatakan bahwa skor docking ligan SA2014, Trisindolina 1, Trisindolina 2, Trisindolina 3, dan Trisindolina 4 berturut-turut adalah -5,5; -8,3; -9,0; -8,1; dan -8,1 sedangkan doxorubicin sebesar 2,1. Residu asam amino yang berperan dalam interaksi SA2014-p53 lebih sedikit dibandingkan interaksi Trisindolina-p53. Hasil ini menunjukkan bahwa senyawa Trisindolina 2 memiliki potensi terbesar sebagai stabilisator p53 termutasi dan menghambat proliferasi sel kanker melalui interaksi asam amino terdekat yaitu asam amino treonin dengan jarak 1,34 Å.
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p53 is a protein that induces apoptosis when DNA damage occurs. Mutant p53 protein involved in more than 50% of cancers, so it requires a mutant p53 stabilizer compound. Some examples of these compounds are Trisindoline and SA2014. The aim of this study is to know the difference of docking score and amino acids that play a role in an activity of alkaloids compound trisindoline and SA2014 against p53 protein. The method used in this research is molecular docking method of AutoDock Vina in PyRx software, protein preparation using YASARA, ligand preparation using MarvinSketch and Open Babel, and visualization using YASARA and VMD (Visual Molecular Dynamic). Data analysis was performed using docking scores compared to doxorubicin and amino acid residues in the interaction between testing ligand and target protein. The results stated that the docking ligand score of SA2014, Trisindoline 1, Trisindoline 2, Trisindoline 3, and Trisindoline 4 were -5,5; -8,3; -9,0; -8,1; and -8,1 while the docorubicin score was 2,1. Amino acid residues that play a role in the interaction of SA2014-p53 are less than Trisindolina-p53 interactions. These results indicate that the Trisindolina 2 has the greatest potential as a mutant p53 stabilizer and inhibits the proliferation of cancer cells through the interaction of the closest amino acids threonine with the distance of 1,34 Å.
| Item Type: | Thesis (Other) |
|---|---|
| Additional Information: | RSBi 547.632 Suk d-1 2019 |
| Uncontrolled Keywords: | docking molekuler, protein p53, SA2014, Trisindolina |
| Subjects: | Q Science R Medicine > R Medicine (General) |
| Divisions: | Faculty of Natural Science > Biology > 46201-(S1) Undergraduate Thesis |
| Depositing User: | Sukma Chindy Melati |
| Date Deposited: | 03 Apr 2024 02:01 |
| Last Modified: | 03 Apr 2024 02:01 |
| URI: | http://repository.its.ac.id/id/eprint/65033 |
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