In silico repurposing inhibition specificities 3C-like Protease SARS-CoV-2 by Quinic Acid, Gluconic Acid, and Ferulic Acid of Coffee pulp


  • 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



3CL Protease, Ferulic acid, corona virus, coffee pulp, quinic acid, gluconic acid


This study aims to explore the chemical compounds of the coffee pulp as an anti-covid-19 (anti-3C-like protease). In silico modeling was carried out by structure retrieval, protein preparation, and docking simulation. Specific Grid docking was used for ligands – protein interacting by using Molegro Virtual Docker 5, followed by visualizing Discovery studio version 21.1.1. Compounds contained in coffee pulp, quinic acid, gluconic acid, and ferulic acid separately bind to the same amino acid residues of 3CL Protease or each other. Furthermore, three compounds inhibited 3CLPro activity by catalytic site blocking of 3CLPro, indicating that coffee compounds have potential as molecular therapeutic materials for the coronavirus by inhibiting SARS-CoV-2 genome replication.

Author Biographies

Frederiksen Novenrius Sini Timba, Universitas Nusa Nipa

Elementary School Teacher Education Study Program, Faculty of Teacher Training and Education

Dewi Ratih Tirto Sari, Universitas Ibrahimy

Pharmacy Study Program, Faculty of Health Sciences

Oktavius Yoseph Tuta Mago, Universitas Nusa Nipa

Biology Education Study Program, Faculty of Teacher Training and Education

Maria Marcelina Dua Nurak, Universitas Nusa Nipa

Biology Education Study Program, Faculty of Teacher Training and Education


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How to Cite

Bare, Y., Timba, F. N. S., Sari, D. R. T., Mago, O. Y. T., & Nurak, M. M. D. (2022). In silico repurposing inhibition specificities 3C-like Protease SARS-CoV-2 by Quinic Acid, Gluconic Acid, and Ferulic Acid of Coffee pulp. Jurnal Ilmiah Medicamento, 8(2), 93–98.



Original Articles