dc.contributor.advisor | Falah, Syamsul | |
dc.contributor.advisor | Andrianto, Dimas | |
dc.contributor.advisor | Kurniasih, Rini | |
dc.contributor.author | Bahri, Ahmad Syaiful | |
dc.date.accessioned | 2022-01-27T02:20:12Z | |
dc.date.available | 2022-01-27T02:20:12Z | |
dc.date.issued | 2022 | |
dc.identifier.uri | http://repository.ipb.ac.id/handle/123456789/110829 | |
dc.description.abstract | RBD spike dan nukleokapsid merupakan bagian protein struktural SARS-CoV-2 yang masing-masing berperan utama mengikat reseptor spesifik dalam sel inang (ACE2) serta mengikat genom RNA virus dan mengemasnya ke dalam struktur ribonukleoprotein. Senyawa aktif kulit kayu mahoni termasuk golongan flavanol yang memiliki aktivitas antioksidan dan antimikroba. Penelitian ini bertujuan menganalisis interaksi molekuler senyawa aktif kulit kayu mahoni terhadap RBD spike dan nukleokapsid dari SARS-CoV-2 EPI_ISL_467376 asal pasien Indonesia. Metode yang digunakan dalam penelitian ini adalah penambatan molekuler menggunakan perangkat lunak YASARA Structure. Hasil penelitian menunjukkan bahwa katekin berpotensi terbaik sebagai inhibitor interaksi RBD spike dengan ACE2 (energi ikatan -3,911 kkal/mol dan Kd 0,135×104 μM). Katekin juga berpotensi terbaik sebagai inhibitor interaksi nukleokapsid dengan genom RNA virus dalam pembentukan kompleks ribonukleopreotein (energi ikatan -2,027 kkal/mol dan Kd 3,267×104 μM). | id |
dc.description.abstract | RBD spike and nucleocapsid are parts of SARS-CoV-2 structural proteins that each play a major role in binding to a specific receptor in the host cell (ACE2) and binding to the viral RNA genome and packaging it into a ribonucleoprotein structure. The active compounds of mahogany bark belongs to the flavanol group which have antioxidant and antimicrobial activity. This study aims to analyze the molecular interactions of active compounds from mahogany bark on the RBD spike and nucleocapsid of SARS-CoV-2 EPI_ISL_467376 from an Indonesia patient. The method used in this research is molecular docking using YASARA Structure software. The results show that catechin has the best potential as inhibitor of the interaction of the RBD spike with ACE2 (binding energy of -3.911 kcal/mol and Kd 0.135×104 μM). Catechin also has the best potential as inhibitor of nucleocapsid interaction with viral RNA genomes in the formation of ribonucleoprotein complexes (binding energy of -2.027 kcal/mol and Kd 3.267×104 μM). | id |
dc.language.iso | id | id |
dc.publisher | IPB University | id |
dc.title | Potensi Senyawa Aktif Kulit Kayu Mahoni sebagai Inhibitor RBD Spike dan Nukleokapsid SARS-CoV-2 asal Pasien Indonesia In Silico | id |
dc.title.alternative | In Silico Potency of Active Compound in Mahony Bark as RBD Spike and Nucleocapsid SARS-CoV-2 Inhibitor from Indonesian Patient | id |
dc.type | Undergraduate Thesis | id |
dc.subject.keyword | kulit kayu mahoni | id |
dc.subject.keyword | katekin | id |
dc.subject.keyword | nukleokapsid | id |
dc.subject.keyword | RBD spike | id |
dc.subject.keyword | SARS-CoV-2 | id |