Application of Protein Toxins as Cell Biological and Pharmacological Tools

Johannes, Ludger

doi:10.3390/toxins14040242

Cited by 2 publications

(1 citation statement)

References 10 publications

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“…Both toxins are associated with several human diseases, e.g., diarrhea . In addition, these toxins are of special interest for their applications in biophysical experiments, targeted drug delivery, and cancer therapy. − Both toxins are AB 5 proteins, composed of an enzymatic active A and membrane binding homopentameric B subunit. The B subunit of cholera toxin (CTxB; Figure a) and Shiga toxin (STxB; Figure d) initiates the toxin internalization through binding to their natural receptors on the targeted cell plasma membrane: the glycolipid globotriaosylceramide (Gb3) for STxB and ganglioside (GM) for CTxB.…”

Section: Validationmentioning

confidence: 99%

Martini 3 Coarse-Grained Force Field for Carbohydrates

Grünewald

Punt

Jefferys

et al. 2022

J. Chem. Theory Comput.

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The Martini 3 force field is a full reparametrization of the Martini coarse-grained model for biomolecular simulations. Due to the improved interaction balance, it allows for a more accurate description of condensed phase systems. In the present work, we develop a consistent strategy to parametrize carbohydrate molecules accurately within the framework of Martini 3. In particular, we develop a canonical mapping scheme which decomposes arbitrarily large carbohydrates into a limited number of fragments. Bead types for these fragments have been assigned by matching physicochemical properties of mono-and disaccharides. In addition, guidelines for assigning bonds, angles, and dihedrals were developed. These guidelines enable a more accurate description of carbohydrate conformations than in the Martini 2 force field. We show that models obtained with this approach are able to accurately reproduce osmotic pressures of carbohydrate water solutions. Furthermore, we provide evidence that the model differentiates correctly the solubility of the polyglucoses dextran (water-soluble) and cellulose (water insoluble but soluble in ionic liquids). Finally, we demonstrate that the new building blocks can be applied to glycolipids. We show they are able to reproduce membrane properties and induce binding of peripheral membrane proteins. These test cases demonstrate the validity and transferability of our approach.

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Section: Validationmentioning

confidence: 99%

Martini 3 Coarse-Grained Force Field for Carbohydrates

Grünewald

Punt

Jefferys

et al. 2022

J. Chem. Theory Comput.

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Exosomes as mediators of signal transmitters in biotoxins toxicity: a comprehensive review

Xu,

Huangfu,

et al. 2024

Cell Biol Toxicol

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Small membranes known as exosomes surround them and are released by several cell types both in vitro and in vivo. These membranes are packed with a variety of biomolecules, including proteins, lipids, deoxyribonucleic acid (DNA), ribonucleic acid (RNA), and non-coding RNA (ncRNA). As a source of biological nanomaterials, exosomes play a role in information and substance transmission between cells and have been identified as a general method of facilitating communication during interactions between the body, target organs, and toxins.. In order to understand the changes and mechanism of the composition and level of exosomes after biotoxin infection, this review focuses on current findings on the exosomes and highlights their novel uses in the toxicity mechanism. Exosomes are mainly used as a delivery carrier or mediated by receptors, and play an immune role after the toxin enters the body. This review expounds on the importance of exosomes in the toxicological mechanism of biotoxins and provides new insights for further diagnosis of toxic biomarkers, detoxification, and treatment development. Graphical abstract

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Application of Protein Toxins as Cell Biological and Pharmacological Tools

Abstract: Protein toxins from bacteria and plants are a serious threat to human and animal health [...]

Cited by 2 publications

References 10 publications

Martini 3 Coarse-Grained Force Field for Carbohydrates

Martini 3 Coarse-Grained Force Field for Carbohydrates

Exosomes as mediators of signal transmitters in biotoxins toxicity: a comprehensive review

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