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
; 10:65-70, 2022.
Article
in English
| Scopus | ID: covidwho-1662719
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.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. © 2022 Wahyu Widowati, Kusworini Handono, Marlina Marlina, Ika Adhani Sholihah, Diana Krisanti Jasaputra, Teresa Liliana Wargasetia, Mawar Subangkit, Ahmad Faried, Ermi Girsang, I Nyoman Lister, Chrismis Novalinda Ginting, Ita Margaretha Nainggolan, Rizal Rizal, Hanna Kusuma, Linda Chiuman.
Full text:
Available
Collection:
Databases of international organizations
Database:
Scopus
Language:
English
Journal:
Open Access Macedonian Journal of Medical Sciences
Year:
2022
Document Type:
Article
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