Interaction of soluble human 55 kd tumor necrosis factor (TNF) receptor with human TNF β: molecular dynamics and complexation

Abstract

Complexation molecular mechanisms of soluble human 55 kd TNF receptor with human TNF β are investigated by methods of molecular dynamics using GROMAX software package. The hydrogen bonds formation and molecular complex gyration radius are analysed. TNF β-targeting therapy with the use of the drug Etanercept is used in the clinical treatment of various inflammatory and immune diseases. However, the underlying molecular mechanism of action of Etanercept remains unclear. The structure of the complex defines the orientation of the ligand with respect to the cell membrane and provides a model for TNF receptor activation. The novel fold of the TNF receptor structure is likely to be representative of the nerve growth factor (NGF)/TNF receptor family as a whole.

Speaker

Pavel Zhulidin
Yuri Gagarin State Technical University of Saratov
Russia

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