Binding of the plant-derived toxin simplexin to bovine protein kinase C: insights from molecular dynamics-Reference-Cited by-同舟云学术

Binding of the plant-derived toxin simplexin to bovine protein kinase C: insights from molecular dynamics

Published:2024 Issue:14 Volume:22 Page:2863-2876
ISSN:1477-0520
Container-title:Organic & Biomolecular Chemistry
language:en
Short-container-title:Org. Biomol. Chem.

Author:

Zhou Yuchen¹^ORCID,Roseli Ras Baizureen¹^ORCID,Hungerford Natasha L.¹²^ORCID,Fletcher Mary T.¹²^ORCID,Ouwerkerk Diane³⁴^ORCID,Gilbert Rosalind A.³⁴^ORCID,Krenske Elizabeth H.¹^ORCID

Affiliation:

1. School of Chemistry and Molecular Biosciences, The University of Queensland, St Lucia, QLD 4072, Australia

2. Queensland Alliance for Agriculture and Food Innovation (QAAFI), The University of Queensland, Health and Food Sciences Precinct, Coopers Plains, QLD 4108, Australia

3. Agri-Science Queensland, Department of Agriculture and Fisheries (DAF), EcoSciences Precinct, Dutton Park, Queensland, 4102, Australia

4. Queensland Alliance for Agriculture and Food Innovation (QAAFI), The University of Queensland, Queensland Bioscience Precinct, St Lucia, QLD 4072, Australia

Abstract

Pimelea poisoning of Australian cattle is attributed to the natural toxin simplexin binding to bovine PKC. Molecular dynamics simulations reveal simplexin's high affinity for PKC, and identify SAR for future molecular interventions against poisoning.

Funder

Australian Research Council

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/OB/D4OB00065J

Reference61 articles.

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4. Analysis of Daphnane Orthoesters in Poisonous Australian Pimelea Species by Liquid Chromatography−Tandem Mass Spectrometry

5. The Constituents of Australian Pimelea spp. I. The Isolation and Structure of the Toxin of Pimelea simplex and P. trichostachya Form B Responsible for St. George Disease of Cattle

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