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Structural Biology and Molecular Modeling to Analyze the Entry of Bacterial Toxins and Virulence Factors into Host Cells

Abstract : Understanding the functions and mechanisms of biological systems is an outstanding challenge. One way to overcome it is to combine together several approaches such as molecular modeling and experimental structural biology techniques. Indeed, the interplay between structural and dynamical properties of the system is crucial to unravel the function of molecular machinery's. In this review, we focus on how molecular simulations along with structural information can aid in interpreting biological data. Here, we examine two different cases: (i) the endosomal translocation toxins (diphtheria, tetanus, botulinum toxins) and (ii) the activation of adenylyl cyclase inside the cytoplasm (edema factor, CyA, ExoY). Key Contribution: The review describes application of techniques of modeling and structural biology study to analyze the entry of bacterial toxins and virulence factors into host cells. This permits to put in evidence common features in structure and dynamics for diphtheria, botulinic and tetanus toxins on one side, and for adenylyl cyclases EF and AC on the other side.
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Submitted on : Wednesday, October 23, 2019 - 6:01:18 PM
Last modification on : Saturday, October 17, 2020 - 3:14:04 AM

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Irène Pitard, Thérèse Malliavin. Structural Biology and Molecular Modeling to Analyze the Entry of Bacterial Toxins and Virulence Factors into Host Cells. Toxins, MDPI, 2019, 11 (6), pp.369. ⟨10.3390/toxins11060369⟩. ⟨pasteur-02330056⟩

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