Publikasi Scopus 2024 per tanggal 30 September 2024 (820 artikel)

Merizka E.; Wanandi S.I.; Bela B.; Widyaningtyas S.T.; Fadilah F.
Merizka, Engla (57661443100); Wanandi, Septelia Inawati (36099320700); Bela, Budiman (24723637900); Widyaningtyas, Silvia Tri (57208952258); Fadilah, Fadilah (56966708600)
57661443100; 36099320700; 24723637900; 57208952258; 56966708600
Comparative Analysis Molecular Simulation IL6R Alpha with TCZ and HIL6: Mechanism in Inflammatory Responses
2024
Pharmacognosy Journal
16
4
738
743
5
0
Doctoral Program in Biomedical Science, Faculty of Medicine, Universitas Indonesia, Jakarta, 10430, Indonesia; Diploma Programs for Medical Technology, Faculty of Pharmacy and Science, Universitas Muhammadiyah Prof.DR.HAMKA, Jakarta, Indonesia; MolecularBiologyandProteomicsCoreFacilities, IndonesianMedicalEducationandResearch Institute, FacultyofMedicine, UniversitasIndonesia, Jakarta, 10430, Indonesia; Department of Biochemistry and Molecular Biology, Faculty of Medicine, Universitas Indonesia, Jakarta, 10430, Indonesia; Department of Microbiology, Faculty of Medicine, Universitas Indonesia, Indonesia; Virology and Cancer Pathobiology Research Center, Faculty of Medicine, Universitas Indonesia, Jakarta, 10430, Indonesia; Department ofMedical Chemistry, Faculty of Medicine, Universitas Indonesia, Jalan Salemba Raya number 4, Jakarta, 10430, Indonesia; Bioinformatics Core Facilities- IMERI, Faculty of Medicine, Universitas Indonesia, Jalan Salemba Raya number 6, Jakarta, 10430, Indonesia
Merizka E., Doctoral Program in Biomedical Science, Faculty of Medicine, Universitas Indonesia, Jakarta, 10430, Indonesia, Diploma Programs for Medical Technology, Faculty of Pharmacy and Science, Universitas Muhammadiyah Prof.DR.HAMKA, Jakarta, Indonesia; Wanandi S.I., MolecularBiologyandProteomicsCoreFacilities, IndonesianMedicalEducationandResearch Institute, FacultyofMedicine, UniversitasIndonesia, Jakarta, 10430, Indonesia, Department of Biochemistry and Molecular Biology, Faculty of Medicine, Universitas Indonesia, Jakarta, 10430, Indonesia; Bela B., Department of Microbiology, Faculty of Medicine, Universitas Indonesia, Indonesia, Virology and Cancer Pathobiology Research Center, Faculty of Medicine, Universitas Indonesia, Jakarta, 10430, Indonesia; Widyaningtyas S.T., Virology and Cancer Pathobiology Research Center, Faculty of Medicine, Universitas Indonesia, Jakarta, 10430, Indonesia; Fadilah F., Department ofMedical Chemistry, Faculty of Medicine, Universitas Indonesia, Jalan Salemba Raya number 4, Jakarta, 10430, Indonesia, Bioinformatics Core Facilities- IMERI, Faculty of Medicine, Universitas Indonesia, Jalan Salemba Raya number 6, Jakarta, 10430, Indonesia
Introduction: In cases of inflammation, there is typically a connection between IL6R and HIL6. If there is an excessive level of activity in this connection, it can lead to a cytokine storm. Tocilizumab (TCZ), also known as AntiIL-6R, is a biologic drug that is a recombinant humanized monoclonal antibody. It is specifically used to treat inflammatory and autoimmune diseases that are associated with cytokine storms. Method: This study utilizes in silico analysis to assess the ability of TCZ, a biosimilar, to block IL6R and compares it to the blocking effect of HIL6. Validation of the 3D structure of the IL6R was performed using a Ramachandran plot. Results: The IL6R alpha subunit had a validation score of 97.86%, while the IL6R beta subunit had a validation value of 95.54%. The molecular docking analysis reveals that the TCZ light chain forms a complex with IL6R, yielding a docking score of -16.4 kcal mol-1. Similarly, the TCZ heavy chain also interacts with IL6R, resulting in a docking value of -15.5 kcal mol-1. Notably, both scores are higher than the docking score of the control, which involves IL6R with HIL6, measuring -12.5 kcal mol-1. The root mean square fluctuation (RMSF) value of the IL6R protein in the presence of TCZ (Tocilizumab) is consistently below 2, with an average range of 0.04-0.09. Conclusion: The affinity between IL6R and TCZ is greater than the affinity between IL6R and HIL6. © 2024 Phcogj.Com.
Binding affinity; HIL6; IL6; IL6R; Molecular docking; Molecular dynamics
interleukin 6; interleukin 6 receptor alpha; tocilizumab; Article; comparative study; complex formation; computer simulation; conformational transition; controlled study; drug binding site; drug receptor binding; inflammation; light chain; molecular docking; molecular dynamics; protein structure; receptor blocking; root mean squared error
Ministry of Education and Culture of the Republic of Indonesia, (NKB-921/UN2.RST/HKP.05.00/2022)
The Ministry of Education and Culture of the Republic of Indonesia funded this research through the Doctoral Dissertation Research program number NKB-921/UN2.RST/HKP.05.00/2022.
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