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Abstrak :
ABSTRAK
Virus Ebola (EBOV) merupakan penyebab ebola hemorrhagic fever yang berakibat fatal bagi manusia. Protein Niemann Pick C1 (NPC1) merupakan protein pada organisme inang yang memiliki peranan yang penting dalam proses masuknya EBOV ke dalam sel organisme inangya. Protein ini berikatan dengan primed-glycoprotein (GPcI) yang merupakan protein dari EBOV yang menjadi jalur utama virus menginfeksi. Pada penelitian ini, senyawa peptida digunakan sebagai kandidat inhibitor dari protein NPC1. Sebanyak 12,863 senyawa peptida yang melalui proses virtual screening, rigid docking, dan flexible docking yang kemudian dilakukan penapisan berdasarkan nilai Root Mean Square Deviation (RMSD) dan ΔGbinding, serta dilakukan analisis interaksi protein-ligan dan uji sifat farmakologi. Dari hasil keseluruhan proses tersebut diperoleh tiga senyawa peptida, yaitu Alarelin, Neurokinin beta, dan Callitachykinin I, yang kemudian menjalani simulasi dinamika molekul. Selanjutnya, ketiga senyawa peptida ini dikonjugasi dengan peptida protein HIV-1 tat yang berfungsi sebagai carrier peptida sehingga ketiga ligan tersebut dapat terakumulasi di dalam endosom. Selanjutnya, untuk ketiga senyawa peptida yang telah dikonjugasi ini (C-Peptida) dilakukan proses penambatan molekul kembali. Interaksi ketiga ligan C-peptida ini menunjukkan konformasi yang hampir sama dengan interaksi peptida sebelum dikonjugasi. Dari hal ini dapat dikatakan bahwa sebelum dan setelah dikonjugasi memberi efek inhibisi yang sama. Dari berbagai proses yang dilakukan dapat disimpulkan bahwa C-Callitachykinin I merupakan peptida terbaik yang dapat dijadikan kandidat obat untuk menginhibisi NPC1.

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ABSTRACT
Ebola virus (EBOV) is a cause of ebola hemorrhagic fever which is generate fatal disease to human. Niemann Pick C1 (NPC1) protein is a protein in the host cell that has important function in the process of EBOV entry into the cell. This protein binds to primed-glycoprotein (GPcI) which is a protein from EBOV which is the main pathway for infecting viruses. In this study, peptide compounds were used as candidate inhibitors of NPC1 proteins. A total of 12,863 peptide compounds through the process of virtual screening, rigid docking, and flexible docking were then screened based on the value of Root Mean Square Deviation (RMSD) and ΔGbinding, and analysis of protein-ligand interactions and testing of pharmacological properties. From the results of the whole process three peptide compounds were obtained, namely Alarelin, Beta Neurokinin, and Callitachykinin I, which then underwent molecular dynamics simulations. Furthermore, these three peptide compounds are conjugated with the HIV-1 tat protein peptide which functions as a carrier peptide so that the three ligands can accumulate in the endosome. Furthermore, for the three conjugated peptide compounds (C-Peptides) the molecular tethering process is carried out again. The interaction of the three C-peptide ligands shows conformation that is almost the same as the peptide interaction before conjugation. From this it can be said that before and after conjugation had the same inhibitory effect. From various processes carried out it can be concluded that C-Callitachykinin I is the best peptide that can be used as a drug candidate to inhibit NPC1

Abstrak :
ABSTRAK
Virus ebola EBOV merupakan virus patogen yang dapat menyebabkan kematian pada manusia dan makhluk primata. Data WHO pada Maret 2016 menunjukkan bahwa sebanyak 11,323 kasus dinyatakan meninggal dari 28,646 kasus yang dilaporkan. Kasus ini tidak hanya terjadi di Afrika, tetapi juga sudah terjadi di Itali, Spanyol, Amerika dan Inggris. Penting untuk menemukan kandidat obat yang mampu menghambat penyebaran virus ini. Salah satu protein yang dapat jadikan sebagai target untuk menginhibisi EBOV adalah viral protein 35 VP35 . Protein ini akan menghambat transkripsi dari interferon, sehingga produksi interferon akan menurun. Pada penelitian ini, digunakan pangkalan data Universal Natural Product Database UNPD sebagai inhibitor. Ada beberapa metode komputasi yang digunakan untuk menemukan kandidat obat dari senyawa UNPD, yaitu metode Protein-Ligand Interaction Fingerprint PLIF , titik farmakofor, simulasi penambatan dan dinamika molekul serta uji farmakologi senyawa. Hasil dari berbagai proses ini menyimpulkan bahwa ligan UNPD161456 merupakan senyawa terbaik yang dapat dijadikan kandidat obat untuk menginhibisi VP35.

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ABSTRACT
Ebola virus is a pathogen virus that can be pathogenic in the human and non human primate. Based on data from WHO in March 2016 there are more than 11,323 deadly cases from 28,646 reported cases. This virus has been separated to another country, such as Italy, Spain, and USA. This is a challenge for scientists to find a drug that can inhibit this virus. Viral protein VP35 is the important target from this virus that can hamper the transcription of interferon, and the production of interferon will be decreased. In this research, Universal Natural Product Database UNPD is used as inhibitor. There are several computational methods that can be used to find drug candidate from UNPD. The methods are Protein Ligand Interaction Fingerprint PLIF , pharmacophore feature, molecular docking, molecular dynamics and pharmacological properties. In the end, a ligand with the code UNPD161456 is the best drug candidate that can inhibit VP35.

Abstrak :
The outbreak of Ebola virus disease in West Africa shocked the world as the disease spread rapidly from its origin to neighboring countries, Europe, and North America while the systems in place to handle such an epidemic failed. The United Nations, the World Health Organization, and major international humanitarian organizations scrambled to respond as thousands died and infections spiraled out of control. All are now contemplating: What went wrong, and how do we stop it from happening again? Global Management of Infectious Disease After Ebola is the first and most comprehensive volume to address these questions. It brings together the analyses and retrospectives of diplomats, scholars, and advocates studying from afar, as well as those of physicians and front-line responders who witnessed the epidemic sweep through already poor, devastated countries as their nascent health systems collapsed. The volume assesses not only the global response to Ebola but also current and emerging infectious disease threats, changes in the global system to handle them, and the critical ethics and human rights issues that will shape the next episode in the perpetual struggle against infectious disease.