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 Lister, Chrismis Novalinda Ginting, Ita Margaretha Nainggolan, Rizal Rizal, Hanna Kusuma, Linda Chiuman

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

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.

Original languageEnglish
Pages (from-to)65-70
Number of pages6
JournalOpen Access Macedonian Journal of Medical Sciences
Volume10
DOIs
Publication statusPublished - 2022

Keywords

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

Fingerprint

Dive into the research topics of 'In Silico Approach for Pro-inflammatory Protein Interleukin 1β and Interleukin-1 Receptor Antagonist Protein Docking as Potential Therapy for COVID-19 Disease'. Together they form a unique fingerprint.

Cite this