In Silico Approach for Pro-inflammatory Protein Interleukin 1β and Interleukin-1 Receptor Antagonist Protein Docking as Potential Therapy for COVID-19 Disease

Wahyu Widowati; Kusworini Handono; Marlina Marlina; Ika Adhani Sholihah; Diana Krisanti Jasaputra; Teresa Liliana Wargasetia; Mawar Subangkit; Ahmad Faried; Ermi Girsang; I Nyoman Ehrich Lister; Chrismis Novalinda Ginting; Ita Margaretha Nainggolan; Rizal Rizal; Hanna Sari Widya Kusuma; Linda Chiuman

doi:10.3889/oamjms.2022.7405

Authors

Wahyu Widowati Departement of Pharmacology, Faculty of Medicine, Maranatha Christian University, Bandung, Indonesia
Kusworini Handono Department of Pathology Clinic, Faculty of Medicine, Universitas Brawijaya, Malang, Indonesia
Marlina Marlina Faculty of Pharmacy, Andalas University, Padang, Indonesia
Ika Adhani Sholihah School of Life Sciences and Technology, Institut Teknologi Bandung, Bandung, Indonesia; Department of Public Health, Faculty of Medicine, Universitas Prima Indonesia, Medan, Indonesia
Diana Krisanti Jasaputra Departement of Pharmacology, Faculty of Medicine, Maranatha Christian University, Bandung, Indonesia
Teresa Liliana Wargasetia Departement of Pharmacology, Faculty of Medicine, Maranatha Christian University, Bandung, Indonesia
Mawar Subangkit Department of Biology, Faculty of Mathematics and Natural Sciences, Bogor Agricultural University, IPB Darmaga Campus, Bogor, Indonesia
Ahmad Faried Department of Neurosurgery and Stem Cell Working Group, Faculty of Medicine, Universitas Padjadjaran, Dr. Hasan Sadikin Hospital, Bandung, Indonesia
Ermi Girsang Department of Biomedical Sciences, Faculty of Medicine, University of Prima Indonesia, Medan, Indonesia
I Nyoman Ehrich Lister Department of Biomedical Sciences
Chrismis Novalinda Ginting Department of Public Health, Faculty of Medicine, Universitas Prima Indonesia, Medan, Indonesia
Ita Margaretha Nainggolan Clinical Pathology Department, School of Medicine and Health Sciences, Atma Jaya Catholic University, Jakarta, Indonesia
Rizal Rizal Department of Public Health, Faculty of Medicine, Universitas Prima Indonesia, Medan, Indonesia Clinical Pathology Department, School of Medicine and Health Sciences, Atma Jaya Catholic University, Jakarta, Indonesia
Hanna Sari Widya Kusuma Department of Public Health, Faculty of Medicine, Universitas Prima Indonesia, Medan, Indonesia
Linda Chiuman Department of Biomedical Sciences, Faculty of Medicine, University of Prima Indonesia, Medan, Indonesia

DOI:

https://doi.org/10.3889/oamjms.2022.7405

Keywords:

COVID-19, Conditioned Medium Wharton’s Jelly Mesenchymal stem cells, Cytokine, Interleukin-1 receptor antagonist, Interleukin-1β

Abstract

Background: Interleukin-1 receptor antagonist (IL-1Ra) also known as Anakinra is a receptor antagonist of IL-1 especially IL-1β. IL-1β increased in infected COVID-19 patient groups. This study aimed that the IL-1Ra contained in Conditioned Medium Wharton’s Jelly Mesenchymal Stem Cells (CM-WJMSCs) has the potential to inhibit IL-1β which is one of the cytokine storms that occur in COVID patients through an in-silico approach. Objective: This study aims to determine the effect of in silico approach pro-inflammatory protein interleukin 1β (IL-1 β) and interleukin-1 receptor antagonist protein as cytokine WJ-MSCs for potential treatment of COVID-19 disease. Methods: 3D structure using the homology modeling method on Swiss Model web-server. Molecular docking was performed to analyze the binding mode of the IL-1β related to COVID-19 with IL-1Ra and the docking results were fixed using FireDock web-server. Results: These results of the docking of proteins between IL-1β and the CM-WJMSCs component, namely IL-1Ra showed that IL-1Ra has criteria for docking on IL-1β such as the good score for QMEAN, good CscoreLB, and BS-score results, and the lowest energy obtained was -585.1 KJ/mol. It can be predicted that IL-1Ra can inhibit IL-1β which causes cytokine storms in COVID-19 patients. Conclusion: So that there is a potential treatment of CM-WJMSCs on the severity of Covid-19 infection.

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