Kajian in silico Penghambatan Spesifik 3C-like Protease SARS-CoV-2 Senyawa Quinic Acid, Gluconic Acid, dan Ferulic Acid pada Kulit Kopi

Yohanes Bare; Frederiksen Novenrius Sini Timba; Dewi Ratih Tirto Sari; Oktavius Yoseph Tuta Mago; Maria Marcelina Dua Nurak

doi:10.36733/medicamento.v8i2.3971

Penulis

Yohanes Bare Universitas Nusa Nipa Indonesia
Frederiksen Novenrius Sini Timba Universitas Nusa Nipa
Dewi Ratih Tirto Sari Universitas Ibrahimy
Oktavius Yoseph Tuta Mago Universitas Nusa Nipa
Maria Marcelina Dua Nurak Universitas Nusa Nipa

DOI:

https://doi.org/10.36733/medicamento.v8i2.3971

Kata Kunci:

3CL Protease, ferulic acid, gluconic acid, kulit kopi, quinic acid, virus corona

Abstrak

Penelitian ini bertujuan mengeksplorasi senyawa kimia kulit kopi sebagai anti Covid-19 (anti-3C-like protease). Analisis in silico dilakukan dengan tahapan pengambilan struktur senyawa dan protein, preparasi protein, dan penginteraksian senyawa dan protein 3CL-Pro. Docking dilakukan dengan program Molegro virtual Docker 5 dan divisualisasi dengan Discovery Studio versi 21.1.1. Senyawa yang terkandung dalam kulit kopi, yaitu quinic acid, gluconic acid maupun ferulic acid secara terpisah mengikat residu asam amino 3CL Protease yang sama maupun satu sama lain. Selain itu, ketiga senyawa menghambat aktivitas dengan mengikat sisi katalitik 3CLPro yaitu CYS145. Hal ini menunjukkan bahwa senyawa kopi memiliki potensi sebagai materi terapi virus corona secara molekuler dengan menghambat kinerja 3CL Protease, utamanya menghambat replikasi SARS-CoV-2.

Biografi Penulis

Frederiksen Novenrius Sini Timba, Universitas Nusa Nipa

Program Studi Pendidikan Guru Sekolah Dasar, Fakultas Keguruan dan Ilmu Pendidikan

Dewi Ratih Tirto Sari, Universitas Ibrahimy

Program Studi Farmasi, Fakultas Ilmu Kesehatan

Oktavius Yoseph Tuta Mago, Universitas Nusa Nipa

Program Studi Pendidikan Biologi, Fakultas Keguruan dan Ilmu Pendidikan

Maria Marcelina Dua Nurak, Universitas Nusa Nipa

Program Studi Pendidikan Biologi, Fakultas Keguruan dan Ilmu Pendidikan

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