Please use this identifier to cite or link to this item: http://repository.ipb.ac.id/handle/123456789/110306
Title: Analisis Senyawa Aktif Kulit Kayu Mahoni (Swietenia macrophylla) dalam penghambatan 3c-like protease dan papain-like protease SARS-CoV-2 dari Indonesia secara in silico
Other Titles: Analysis of Active Compounds of Mahogany Bark (Swietenia macrophylla) as an inhibition of 3c-like protease and papain-like protease SARS-CoV-2 from Indonesia by in silico methods
Authors: Falah, Syamsul
Andrianto, Dimas
Kurniasih, Rini
Aufa, Muhammad Nabil
Issue Date: 24-Dec-2021
Publisher: IPB University
Abstract: Mahoni (Swietenia macrophylla) merupakan tanaman yang berasal dari famili Meliaceae, diidentifikasi memiliki tiga senyawa aktif flavonoid, yaitu katekin, epikatekin, dan swietemakrofilanin. SARS-CoV-2 merupakan virus penyebab penyakit COVID-19 yang melanda seluruh dunia. Protein 3c-like protease dan papain-like protease dari SARS-CoV-2 memiliki peran terhadap siklus hidup SARS-CoV-2 Penelitian ini bertujuan menganalisis interaksi senyawa aktif kulit kayu mahoni sebagai inhibitor 3c-like protease dan papain-like protease SARS-CoV-2 EPI_ISL_467376 secara in silico. Analisis penelitian dilakukan dengan YASARA Structure dan parameter yang diukur adalah skor penambatan molekuler yang dinyatakan dengan energi ikat. Hasil penelitian menunjukkan bahwa epikatekin memiliki energi bebas Gibbs sebesar -4,7 kkal/mol dengan 3c-like protease dan -4,599 kkal/mol dengan papain-like protease. Epikatekin tergolong ligan terbaik yang berpotensi sebagai inhibitor 3c-like protease dan papain-like protease SARS-CoV-2.
Bark of mahogany (Swietenia macrophylla) has three active compounds of flavonoids, which include catechin, epicatechin, and swietemacrophyllanin. SARS CoV-2 is the cause of the COVID-19 disease that has hit the world. SARS-CoV 2’s 3c-like protease and papain-like protease plays role in the life cycle of SARS CoV-2, especially at the replication and transcription stages. This study aimed to analyze the interaction of active compounds in mahogany bark as an inhibitor of 3c-like protease and papain-like protease SARS-CoV-2 EPI_ISL_467376 by in silico method. The research analysis was carried out with YASARA Structure and the docking score represented by binding energy. The results showed that epicatechin had a Gibbs free energy of -4,7 kcal/mol with 3c-like protease and -4,599 kcal/mol with papain-like protease. Epicatechin is classified as the best ligand that has the potential as an inhibitor of 3c-like protease and papain-like protease SARS-CoV-2.
URI: http://repository.ipb.ac.id/handle/123456789/110306
Appears in Collections:UT - Biochemistry

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Cover, Lembar Pernyataan, Abstrak, Lembar Pengesahan, Prakata dan Daftar Isi.pdf
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Cover2.45 MBAdobe PDFView/Open
G84170044_Muhammad Nabil Aufa.pdf
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Lampiran.pdf
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Lampiran2.47 MBAdobe PDFView/Open


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