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

Widowati, Wahyu and Handono, Kusworini and Marlina, Marlina and Sholihah, Ika Adhani and Jasaputra, Diana Krisanti and Wargasetia, Teresa Liliana and Subangkit, Mawar and Faried, Ahmad and Girsang, Ermi and Lister, I Nyoman Ehrich and Ginting, Chrismis Novalinda and Nainggolan, Ita Margaretha and Kusuma, Hanna Sari Widya and Chiuman, Linda (2022) In Silico Approach for Pro-inflammatory Protein Interleukin 1β and Interleukin-1 Receptor Antagonist Protein Docking as Potential Therapy for COVID-19 Disease. Open Access Macedonian Journal of Medical Sciences.. pp. 65-70. ISSN 1857-9655

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Abstract

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. AIM: This study aims to determine the effect of in silico approach pro-inflammatory protein interleukin 1β (IL-1 β) and IL-1Ra 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: Based on the result, CM-WJMSC has potential treatment on the severity of COVID-19 infection.

Item Type: Article
Subjects: R Medicine > R Medicine (General)
Depositing User: Perpustakaan Maranatha
Date Deposited: 24 Mar 2022 08:11
Last Modified: 24 Mar 2022 08:11
URI: http://repository.maranatha.edu/id/eprint/30189

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