Sabila , Muthoharoh (2025) PREDIKSI MOLEKULER SENYAWA ANTIKANKER DARAH EKSTRAK SPONS Stylissa massa (Carter, 1887) IN SILICO. PERTANIAN, UNIVERSITAS LAMPUNG .
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Abstract
Keanekaragaman hayati laut yang tinggi banyak dimanfaatkan dalam in- dustri bioteknologi dan biofarmakologi kelautan. Berbagai biota laut diketahui mampu menghasilkan senyawa bioaktif yang berpotensi sebagai bahan alami obat. Spons Stylissa massa merupakan salah satu biota penghasil senyawa bioaktif yang cukup besar. Spons laut menjadi salah satu sumber senyawa antikanker alami yang potensial, salah satunya untuk pengobatan kanker darah. Kanker darah me- nempati peringkat kelima sebagai jenis kanker paling mematikan di Indonesia. Pe- -nelitian ini bertujuan untuk mengidentifikasi senyawa aktif dari spons S. massa yang berpotensi sebagai antikanker darah melalui pendekatan in silico mengguna- kan metode molecular docking. Proses docking dilakukan antara senyawa ligan asam flufenamat dengan sembilan protein target kanker darah, yaitu ABL1, BTK, CDK2, FLT3, KIF11, KIT, MKNK2, SYK, dan TEK. Parameter yang dianalisis meliputi nilai binding affinity dan RMSD (Root Mean Square Deviation). Nilai binding affinity dianggap baik apabila semakin negatif (mendekati -12 kkal/mol), sedangkan nilai RMSD dianggap stabil apabila kurang dari 2 Å. Hasil penelitian menunjukkan bahwa senyawa asam flufenamat memiliki potensi sebagai anti- kanker darah karena dapat berinteraksi dengan baik terhadap kesembilan protein target yang diuji. Dengan demikian, senyawa asam flufenamat dapat diper- timbangkan sebagai kandidat obat antikanker alami dari laut untuk pengembangan lebih lanjut. Kata Kunci: In Silico, Kanker Darah, Molecular Docking, Stylissa massa. The biodiversity present in high concentrations in marine ecosystems is a valuable resource for the biotechnology and marine biopharmacology industries. A variety of marine biota have been demonstrated to possess the capacity to syn- thesize bioactive compounds that exhibit promise as natural medicinal ingredients. Stylissa massa sponge is one of the biota that produces considerable bioactive compounds. Marine sponges have been identified as a potential source of natural anticancer compounds, with one such compound demonstrating efficacy in treat- ing blood cancer. In Indonesia, blood cancer is the fifth most deadly type of cancer. The objective of this study is to utilize an in silico approach, employing the molecular docking method, to identify active compounds from S. massa sponge that have the potential to serve as anticancer agents. The docking process was conducted between flufenamic acid ligand compounds and nine blood cancer target proteins, namely ABL1, BTK, CDK2, FLT3, KIF11, KIT, MKNK2, SYK, and TEK. The parameters that were analyzed include binding affinity value and RMSD (Root Mean Square Deviation). The binding affinity value is considered favorable if it is increasingly negative (close to -12 kcal/mol), while the RMSD value is considered stable if it is less than 2 Å. The results demonstrated that flufenamic acid compounds have potential as anticancer drugs for blood cancer because they can interact well with the nine target proteins that were tested. Con- sequently, flufenamic acid compounds can be regarded as promising natural anticancer drug candidates derived from marine sources, warranting further development and investigation. Keywords: Blood Cancer, In Silico, Molecular Docking, Stylissa massa.
| Item Type: | Other |
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| Subjects: | ?? 600 ?? ?? 630 ?? |
| Divisions: | ?? laut ?? |
| Depositing User: | . . Yulianti |
| Date Deposited: | 16 Oct 2025 07:44 |
| Last Modified: | 16 Oct 2025 07:44 |
| URI: | http://digilib.unila.ac.id/id/eprint/91317 |
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