THE STRUCTURE AND DYNAMICS OF HER2 MONOMER IN HYDRATED LIPID BILAYER USING COARSE-GRAINED MODELLING METHOD AND FREE ENERGY ANALYSIS
HER2 is a receptor membrane that functioned as a signal transmitter. HER2 overexpression found in 20-30% of breast cancer. Breast cancer treatment caused by HER2 can be done by giving trastuzumab as an antibody. In this study, we want to observe the effect of trastuzumab on structure, dynamic, an...
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| Format: | Theses |
| Language: | Indonesia |
| Online Access: | https://digilib.itb.ac.id/gdl/view/77537 |
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| Institution: | Institut Teknologi Bandung |
| Language: | Indonesia |
| Summary: | HER2 is a receptor membrane that functioned as a signal transmitter. HER2
overexpression found in 20-30% of breast cancer. Breast cancer treatment caused by
HER2 can be done by giving trastuzumab as an antibody. In this study, we want to
observe the effect of trastuzumab on structure, dynamic, and stability of HER2
monomer in membrane. Molecular dynamics simulations were performed using
residue-based coarse-grained (RBCG) modeling method and MARTINI force field.
After they were equilibrated for 20 ns, structure of extracellular domain without
trastuzumab had larger transformation than the complex form. The existence of
trastuzumab attracted transmembrane domain to move closer to extracellular domain.
Furthermore, free energy analysis using FEP method was used to observe the effect of
trastuzumab. The results show that the existence of trastuzumab increased the stability
of HER2 monomer.
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