TY - JOUR
T1 - In Silico Approach for Pro-inflammatory Protein Interleukin 1β and Interleukin-1 Receptor Antagonist Protein Docking as Potential Therapy for COVID-19 Disease
AU - Widowati, Wahyu
AU - Handono, Kusworini
AU - Marlina, Marlina
AU - Sholihah, Ika Adhani
AU - Jasaputra, Diana Krisanti
AU - Wargasetia, Teresa Liliana
AU - Subangkit, Mawar
AU - Faried, Ahmad
AU - Girsang, Ermi
AU - Lister, I. Nyoman
AU - Ginting, Chrismis Novalinda
AU - Nainggolan, Ita Margaretha
AU - Rizal, Rizal
AU - Kusuma, Hanna
AU - Chiuman, Linda
N1 - Funding Information:
This study was supported and funding by the Ministry of Research, Technology and Higher Education of the Republic of Indonesia (PDUPT 2020, PTUPT 2021). This research was also supported by Aretha Medika Utama, Biomolecular and Biomedical Research Center by providing the laboratory facilities and research methodology. We are thankful to Seila Arumwardana, Aditya Rinaldy, Muhamad Aldi Maulana, and Cintani Dewi Wahyuni from Biomolecular and Biomedical Research Center, Aretha Medika Utama, Bandung, West Java, Indonesia for their technical assistants.
Publisher Copyright:
© 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.
PY - 2022
Y1 - 2022
N2 - 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.
AB - 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.
KW - Conditioned Medium Wharton’s Jelly Mesenchymal stem cells
KW - COVID-19
KW - Cytokine
KW - Interleukin-1 receptor antagonist
KW - Interleukin-1β
UR - http://www.scopus.com/inward/record.url?scp=85123428894&partnerID=8YFLogxK
U2 - 10.3889/oamjms.2022.7405
DO - 10.3889/oamjms.2022.7405
M3 - Article
AN - SCOPUS:85123428894
SN - 1857-5749
VL - 10
SP - 65
EP - 70
JO - Open Access Macedonian Journal of Medical Sciences
JF - Open Access Macedonian Journal of Medical Sciences
ER -