Electronic Theses and Dissertation

Analisis potensi senyawa tumbuhan kawasan Manifestasi Geotermal Seulawah Agam (MGSA) sebagai kandidat obat terhadap Severe Acute Respiratory Syndrome-2 (SARS-CoV-2) dan penanganan pada keadaan Sindrom Badai Sitokin telah dilakukan. Penelitian sebelumnya menunjukkan potensi tumbuhan obat di kawasan MGSA Ie Brôk sebagai antibakteri. Penelitian ini bertujuan untuk menentukan kandidat senyawa dari tumbuhan MGSA Ie Brôk, Aceh Besar terhadap protein (Open Reading Frames 7a) dan enzim (RNA-dependent RNA-polymerase dan Helicase) SARS-CoV-2 serta sitokin pro-inflamasi (interleukin-1 dan interleukin-6) dengan menggunakan metode in silico. Sampel tumbuhan kawasan MGSA Ie Brôk yang diperoleh sebanyak lima sampel. Sampel tumbuhan diekstraksi dengan etanol 96% secara maserasi, kemudian dianalisis senyawa yang terkandung didalam ekstrak etanol tersebut menggunakan Gas-Chromatography Mass-Spectrometry (GC-MS). Senyawa hasil GC-MS yang berpotensi sebagai kandidat obat dilakukan pengujian Lipinski Rule of Five (Ro5), kemudian dilakukan proses penambatan menggunakan Autodock Vina dalam perangkat lunak emulator PyRx dan hasilnya divisualisasikan menggunakan BIOVIA Discovery Visualizer 2021. Hasil dari analisis penambatan molekuler menunjukkan bahwa senyawa lupeol; stigmasta-3,5-diene; β-sitosterol dan 7,9-di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione memiliki energi ikatan yang mendekati atau lebih tinggi terhadap reseptor target dibandingkan dengan kontrol positifnya. Berdasarkan hal tersebut, dapat disimpulkan bahwa senyawa aktif dari tumbuhan kawasan MGSA Ie Brôk berpotensi menghambat SARS-COV-2 serta sitokin pro-inflamasi.

Kata kunci: MGSA Ie Brôk, SARS-CoV-2, molecular docking, protein, enzim

Analysis of the potential of medicinal plants in the Geothermal Manifestation of Seulawah Agam (MGSA) area as drug candidates for Severe Acute Respiratory Syndrome-2 (SARS-CoV-2) and treatment of Cytokine Storm Syndrome has been carried out. The previous research shows the potential of medicinal plants in the MGSA Ie Brôk area have antimicrobial activity. This research aims to determine candidate compounds from the MGSA Ie Brôk plant, Aceh Besar against SARS-CoV-2 protein (Open Reading Frames 7a) and enzymes (RNA-dependent RNA-polymerase and Helicase) as well as pro-inflammatory cytokines (interleukin-1 and interleukin-6) using the method in silico. Five samples of plants from the MGSA Ie Brôk area were obtained. Plant samples were extracted with 96% ethanol by maceration method, then analyzed the compounds using Gas-Chromatography Mass-Spectrometry (GC-MS). Compounds resulting from GC-MS that have the potential to be drug candidates were subjected to Lipinski Rule of Five (Ro5) testing, then the docking process was carried out using Autodock Vina in the PyRx emulator software and the results were visualized using BIOVIA Discovery Visualizer 2021. The results of the molecular docking analysis showed that the compound lupeol; stigmasta-3,5-diene; β-sitosterol and 7,9-di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione have binding energies close to or higher against the target receptor compared to the positive control. Based on results, it can be concluded that the active compounds from plants in the MGSA Ie Brôk area have the potential to inhibit SARS-COV-2 and pro-inflammatory cytokines. Keywords: MGSA Ie Brôk, SARS-CoV-2, molecular docking, protein, enzyme