dc.contributor.advisor | Setyawati, Inda | |
dc.contributor.advisor | Vidilaseris, Keni | |
dc.contributor.author | Setiawan, Aprijal Ghiyas | |
dc.date.accessioned | 2022-09-07T04:10:33Z | |
dc.date.available | 2022-09-07T04:10:33Z | |
dc.date.issued | 2022 | |
dc.identifier.uri | http://repository.ipb.ac.id/handle/123456789/114389 | |
dc.description.abstract | Chikungunya merupakan penyakit menular yang disebabkan oleh virus chikungunya (CHIKV) dan belum ditemukan obatnya. Penelitian ini bertujuan mengidentifikasi protein CHIKV yang berpotensi sebagai target obat serta memprediksi senyawa bioaktif dari tanaman herbal Indonesia sebagai kandidat obat anti-CHIKV. Sekuens protein CHIKV diperoleh dari publikasi terbaru mengenai endemik chikungunya pada tahun 2015. Selanjutnya, protein-protein tersebut dianalisis tingkat paraloginya satu sama lain, homologinya terhadap proteom manusia dan bakteri usus, serta interaksinya dengan protein manusia. Hasil beberapa analisis tersebut menunjukkan nsP2 merupakan protein paling potensial untuk dijadikan sebagai target obat. Kandidat obat dipilih dari ligan herbal yang telah dipublikasikan strukturnya sebanyak 5550 senyawa. Hasil penapisan virtual menunjukkan lima senyawa katekin yang berpotensi dikembangkan sebagai inhibitor nsP2 yaitu epigalokatekin 3-O-(3-O-metil)-galat (EGCMG), epigalokatekin 3-O-galat (EGCG), epikatekin 3-O-galat (ECG), epigalokatekin 3-O-kafeat (EGCC), dan galokatekin 3’-O-galat (GCG). Kelima senyawa tersebut memiliki afinitas pengikatan pada rentang -8,0 sampai -7,5 kcal/mol (AutoDock Vina) dan -9,19 sampai -9,88 kcal/mol (AutoDock 4). | id |
dc.description.abstract | Chikungunya is an infectious disease caused by CHIKV, and the drug for the disease has not been identified yet. This research aimed to identify the essential proteins of CHIKV as drug targets and predict bioactive compounds from Indonesian herbal plants as the drug candidates for CHIKV. The essential proteins of CHIKV were obtained from the recently published studies which were the data from the endemic happened in 2015. These proteins were analyzed by the level of paralogy within each other, the homology against proteomes of human and gut microbiome, and their interaction with the human proteins. The investigation shows that nsP2 was the most potent protein for the drug targets. In addition, the drug candidates were virtually screened from 5550 of the herbal compounds in which the structures had been published. Five compounds potentially to be investigated for the next study were EGCMG, EGCG, ECG, EGCC and GCG. The binding affinities are in range -8.0 to -7.5 kcal/mol (AutoDock Vina) and -9.19 to -9.88 kcal/mol (AutoDock 4). | id |
dc.language.iso | id | id |
dc.publisher | IPB University | id |
dc.title | Analisis Protein Virus Chikungunya Varian Indonesia untuk Desain Antivirus dari Senyawa Bioaktif Herbal Indonesia | id |
dc.title.alternative | Analyzing The Proteins of Indonesia Varian Chikungunya Virus for Antiviral Design from Bioactive Compounds of Indonesian Herbs | id |
dc.type | Undergraduate Thesis | id |
dc.subject.keyword | chikungunya virus | id |
dc.subject.keyword | docking | id |
dc.subject.keyword | epigallocatechin | id |
dc.subject.keyword | nsP2 | id |
dc.subject.keyword | virtual screening | id |