Faratisha, Icha Farihah Deniyati (2018) Aktivitas Antimalaria Senyawa Derivat Isoquinoline Dari Streptomyces Hygroscopicus Subspesies Hygroscopicus Melalui Pendekatan In Silico. Sarjana thesis, Universitas Brawijaya.
Abstract
Malaria adalah salah satu penyakit di dunia yang mengancam nyawa. Penyebaran resistensi terhadap obat antimalaria menjadi sebuah tantangan besar, resistensi terhadap artemisin telah dilaporkan di daerah Asia Tenggara. Pada penelitian sebelumnya, senyawa aktif Streptomyces hygroscopicus Subsp. Hygroscopicus, eponemisin, terbukti memiliki efek antimalaria. Untuk menganalisis lebih lanjut terkait efek senyawa aktif lainnya terhadap parasit Plasmodium, identifikasi dan analisis efektivitas senyawa yang terkandung dalam Streptomyces hygroscopicus Subsp. Hygroscopicus melalui instrumentasi Liquid Chromatography/Mass Spectrometry (LC/MS) dan uji in silico sangat berguna. Penelitian ini bertujuan untuk mengidentifikasi senyawa derivat lainnya dari Streptomyces hygroscopicus Subsp. Hygroscopicus dan melakukan skrining ikatan senyawa tersebut dengan target protein spesifik pada parasit. Senyawa derivat diidentifikasi menggunakan instrumentasi LC/MS. Target protein untuk senyawa derivat dicari melalui studi literatur, kemudian hasil identifikasi senyawa dan target protein direkonstruksi ke dalam model tiga dimensi untuk studi reverse molecular docking. Skrining dari target protein untuk senyawa aktif dilakukan menggunakan metode reverse molecular docking. Prediksi profil farmakokinetik dilakukan menggunakan Swiss ADME. Satu senyawa dari Streptomyces hygroscopicus Subsp. Hygroscopicus yaitu 6,7-Dinitro 2[1,2,4]triazole-4-ylbenzo[de]isoquinoline-1,3-dione berhasil diidentifikasi menggunakan instrumentasi LC/MS. Senyawa ini merupakan senyawa derivat isoquinoline. Melalui studi literatur dengan kriteria inklusi didapatkan tiga belas target protein untuk reverse molecular docking. Senyawa derivat isoquinoline memiliki potensi untuk berikatan dengan masing-masing target protein. Profil farmakokinetik menunjukkan senyawa ini memiliki kriteria obat yang layak diadministrasikan secara oral. Senyawa 6,7-Dinitro 2[1,2,4]triazole-4-yl-benzo[de]isoquinoline-1,3- dione memiliki aktivitas antimalaria berdasarkan studi reverse molecular docking. Kemampuan inhibisi terbaik senyawa berdasarkan afinitas ikatan adalah dengan Adenylosuccinate synthetase.
English Abstract
Malaria is one of the life-threatening diseases in the world. The spread of resistance to antimalarial drugs is a major challenge, resistance to artemisin has been reported in the Southeast Asian region. In the previous study, the active compound of Streptomyces hygroscopicus Subsp. Hygroscopicus, eponemycine, has been shown to have antimalarial effects. To further analyze the effects of other active compounds on the Plasmodium parasite, identify and analyze the effectiveness of compounds contained in Streptomyces hygroscopicus Subsp. Hygroscopicus through instrumentation Liquid Chromatography/Mass Spectrometry (LC/MS) and in silico is very useful. This study aimed to identify other derivative compounds from Streptomyces hygroscopicus Subsp. Hygroscopicus and screen the bonds of these compounds with specific protein target in the parasite. The derivative compounds were identified using LC/MS instrumentation. Protein targets for derivative compounds were found through literature studies, then the results of identification of compounds and protein targets were reconstructed into three-dimensional models for reverse molecular docking studies. Screening of protein targets for active compounds was carried out using molecular docking methods. Prediction of pharmacokinetic profiles was carried out using Swiss ADME. One compound from Streptomyces hygroscopicus Subsp. Hygroscopicus, i.e 6,7-Dinitro 2 [1,2,4] triazole-4-yl-benzo [de] isoquinoline-1,3-dione was successfully identified using LC/MS instrumentation. This compound was an isoquinoline derivative compound. Through literature studies with inclusion criteria, thirteen target proteins were obtained for reverse molecular docking. This isoquinoline derivative had the potential to bind to each protein target. The pharmacokinetic profile showed that this compound had the druglikeness criteria. Compound 6.7-Dinitro 2 [1,2,4] triazole-4-yl-benzo [de] isoquinoline-1,3-dione has antimalarial activity based on reverse molecular docking studies. The best inhibitory ability of compounds based on bond affinity is Adenylosuccinate synthetase.
Other obstract
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| Item Type: | Thesis (Sarjana) |
|---|---|
| Identification Number: | SKR/FK/2018/514/051900976 |
| Uncontrolled Keywords: | Malaria, obat anti malaria, senyawa derivat isoquinoline Streptomyces hygroscopicus Subsp. Hygroscopicus, Liquid Chromatography/Mass Spectrometry, reverse molecular docking, Malaria, antimalarial drug, active compound from Streptomyces hygroscopicus Subsp. Hygroscopicus, Liquid Chromatography/Mass Spectrometry, reverse molecular docking |
| Subjects: | 600 Technology (Applied sciences) > 616 Diseases > 616.9 Other disease > 616.93 Clostridium infections, diphtheria, cholera, dysenteries, protozoan infections > 616.936 Protozoan infections > 616.936 2 Malaria > 616.936 206 Malaria--Treatment > 616.936 206 1 Malaria--Chemotherapy |
| Divisions: | Fakultas Kedokteran > Pendidikan Dokter |
| Depositing User: | Nur Cholis |
| Date Deposited: | 22 May 2020 08:43 |
| Last Modified: | 21 Oct 2021 07:22 |
| URI: | http://repository.ub.ac.id/id/eprint/167764 |
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