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March 20, 2024
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December 31, 2023
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Abstract

Latar Belakang: Angiotensin Converting Enzyme-2 (ACE-2) dan proses transkripsi dari genome RNA virus oleh Main Protease (Mpro) memiliki peran penting sebagai mekanisme patogenesis virus Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). Penghambatan aktivitas ACE-2 dan Mpro menggunakan berbagai senyawa seperti hesperidin yang terkandung dalam buah kalamansi (Citrus microcarpa) khas bengkulu menjadi salah satu target pengobatannya. Penelitian ini bertujuan mengetahui kemampuan senyawa hesperidin dari golongan flavonoid dalam berinteraksi dengan sisi aktif ACE-2 dan Mpro menggunakan metode molecular docking.


Metode: Penelitian secara in silico dengan menggunakan metode molecular docking pada struktur 3D ACE-2 (PDB ID 1R4L) dan Mpro (PDB ID 7JQ1) terhadap Hesperidin yang diambil dari situs database Protein Data Bank dan diolah dengan program BIOVIA Discovery Studio dan Autodock Vina.


Hasil: Analisis skor docking dan ikatan ligan dan sisi aktif ACE-2 serta Mpro menunjukan bahwa keduanya memiliki ikatan spontan (∆G -12,1 kkal/mol pada ACE-2 dan -9.5 kkal/mol pada Mpro) terhadap hesperidin dan dapat mengikat pada sisi aktif reseptor. Hesperidin hanya memenuhi satu dari tiga kriteria Lipinski’s Rule of five sehingga hesperidin dapat dikembangkan sebagai obat non-oral.


Kesimpulan: Hesperidin dapat membentuk ikatan secara spontan (∆G < 0) pada sisi aktif protein ACE-2 dan Mpro berdasarkan hasil molecular docking. Ikatan antara senyawa hesperidin lebih kuat dengan protein ACE-2 dibandingkan dengan protein Mpro. Hesperidin dapat berpotensi sebagai kandidat obat baru sebagai inhibitor ACE-2 dan aktivitas Mpro.


Kata Kunci: SARS-CoV-2, Reseptor ACE-2, Mpro, Hesperidin, In Silico

Keywords

SARS-CoV-2 Reseptor ACE-2 Mpro Hesperidin In Silico

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Copyright (c) 2023 Elvira Yunita, Umar Yahya, Novriantika Lestari, Mardhatillah Sariyanti, Hernita Tauristya

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How to Cite
Yunita, E., & Sariyanti, M. (2023). Analisis In Silico Potensi Hesperidin sebagai Inhibitor Main Protease (Mpro) Pada SARS CoV-2 dan Reseptor Angiotensin Converting Enzyme-2 (ACE-2). Jurnal Kedokteran Raflesia, 9(2), 61–70. https://doi.org/10.33369/juke.v9i2.33465
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