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بررسی نقش گیرنده نوع دو اینترلوکین 1 (IL-1RII)در تنظیم سیستم ایمنی بدن انسان: شبیه سازی دینامیک مولکولی تمام اتمی
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بررسی نقش گیرنده نوع دو اینترلوکین 1 (IL-1RII)در تنظیم سیستم ایمنی بدن انسان: شبیه سازی دینامیک مولکولی تمام اتمی

جمشیدی، نرگس Jamshidi, Narges

Elucidating the Roles of Interlukin I Receptor Type II (lL-1Rll) in the Regulation of Human Immune System, Atomistic Molecular Dynamics Simulation

Jamshidi, Narges | 2020

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 53858 (04)
  4. University: Sharif University of Technology
  5. Department: Physics
  6. Advisor(s): Ejtehadi, Mohammad Reza; Azimzadeh Irani, Maryam
  7. Abstract:
  8. IL-1 family of cytokines plays a critical role in the regulation of immune response.These cytokines transfer the signals to the target cells through binding to the IL-1 receptors.Interleukin 1 Receptor Type II (IL-1RII) is the decoy receptor of the IL-1 cytokines. IL-1RII is homologous to the signaling Interleukin 1 Receptor Type I (IL1RI) in its extracellular region and can bind to the same cytokines with higher affinity and the same accessory protein. It down-regulates the signaling and suppresses the downstream pathways due to the lack of the intracellular Toll-Interleukin Receptor (TIR) domain. IL-1RII is decorated by carbohydrate units in-vivo. Dynamics and ligand binding of receptors are affected by these carbohydrate. Yet the detailed molecular mechanism of IL-1RII functioning in the presence of carbohydrate units is not clear.Here we carried out all-atom Molecular Dynamics (MD) simulations to elucidate the mechanism of IL-1RII molecular assembly. We showed that the IL-1RII presents two states of ”extended” and ”compact” conformations. Glycosylation seems to maintain the conformation in the extended state. Furthermore, it is necessary for IL-1RII to bind to its ligand to maintain its stable shape on the cell surface. Finally, by comparing the competitive reactions between IL-1RI and IL-1RII at the chemical equilibrium condition, we demonstrated that when both systems are glycosylated,the IL-1RII receptor has more chance to attach to the same cytokines. So, in this situation reduction of the immune response is expected.
  9. Keywords:
  10. Molecular Dynamic Simulation ; Chemical Equilibrium ; Glycosylation ; Interleukin 1 Receptor Type II (IL-1RII)

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