MILFA VIRANTI, - (2023) STUDI IN SILICO SENYAWA ANDROGRAFOLID DARI TANAMAN SAMBILOTO (Andrographis paniculata (Burm F.)Ness) SEBAGAI ANTIKANKER KOLOREKTAL. Skripsi thesis, Sekolah Tinggi Farmasi Indonesia.
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Abstract
Kanker menjadi salah satu penyebab kematian utama di dunia. Banyak sekali jenis kanker salah satunnya kanker kolorektal (tumor maligna jaringan epitel dari kolon dan rektum). Di Indonesia kanker kolorektal menempati urutan ke 4 kasus kanker terbanyak setelah kanker payudara, serviks dan paru-paru. Pengobatan kanker bersifat jangka panjang sehingga memiliki dampak perubahan fisik dan psikologis bagi pasien, maka dilakukan eksplorasi kandidat obat antikanker dari bahan alam seperti senyawa andrografolid. Pengujian ini dapat dilakukan secara in silico, yaitu memprediksi Adsorpsi, Distribusi, Metabolisme dan Ekskresi (ADME) senyawa andrografolid dan memenuhi aturan Lipinski Rule of Five (Ro5). Andrografolid dapat dikonsumsi secara oral tetapi positif toksisitas terhadap imun, sehingga perlu diuji lebih lanjut. Toksisitas senyawa andrografolid dikategorikan pada kelas 4 yang perlu dilakukan pengawasan dosis. Prediksi potensi aktivitas yang cukup baik berdasarkan Structure Activity Relationship (SAR). Hasil penambatan molekuler dari ketiga reseptor target yaitu Cyclooxigenase-2 (Cox-2), Caspase-3 dan Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2), menunjukkan Caspase-3 memiliki nilai ikatan atau afinitas yang paling baik yaitu -5,36 kkl/mol, dengan ikatan hidrogen yang cukup banyak yaitu 7. Asam amino yang terbentuk pada senyawa andrografolid sama dengan ligan aslinnya, sehingga dapat disimpulkan bahwa andrografolid memiliki aktivitas sebagai antikanker kolorektal dan mampu meningkatkan aktivitas Caspase-3 dalam sel kanker kolorektal. --- Cancer is one of the leading causes of death in the world. There are many types of cancer, one of which is colorectal cancer (malignant tumor, epithelial tissue of the colon and rectum). In Indonesia, colorectal cancer ranks 4th most cancer cases after breast, cervical and lung cancer. Cancer treatment is long-term so that it has an impact on physical and psychological changes for patients, so exploration of anticancer drug candidates from natural ingredients such as andrographolide compounds. This test can be done in silico, which predicts the Adsorption, Distribution, Metabolism and Excretion (ADME) of andrographolide compounds and meets the Lipinski Rule of Five (Ro5) rules. Andrographolide can be taken orally but is positive forimmune toxicity,so it needsto be tested further. The toxicity of andrographolide compounds is categorized in class 4 which needs dose supervision. Prediction of activity potential is quite good based on Structure Activity Relationship (SAR). The results of molecular tethering of the three target receptors, namely Cyclooxigenase-2 (Cox-2), Caspase-3 and Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2), showed Caspase-3 has the best binding value or affinity of -5.36 kkl / mol, with quite a lot of hydrogen bonds of 7. The amino acids formed in andrographolide compounds are the same as the asline ligands, so it can be concluded that andrographolide has colorectal anticancer activity and is able to increase Caspase-3 activity in colorectal cancer cells.
| Item Type: | Thesis (Skripsi) |
|---|---|
| Uncontrolled Keywords: | Kanker kolorektal, Andrografolid, Caspase-3, penambatan molekuler. Colorectal cancer, Andrographolide, Caspase-3, molecular docking. |
| Subjects: | R Medicine > RV Botanic, Thomsonian, and eclectic medicine |
| Divisions: | Program Studi S1 Farmasi |
| Depositing User: | pustakawan - - |
| Date Deposited: | 15 Jun 2024 03:28 |
| Last Modified: | 26 Jun 2024 01:23 |
| URI: | http://repository.stfi.ac.id/id/eprint/225 |
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