Simulation of the conformational flexibility of the mycodextran under external forces

Biopolymers. 2020 Aug;111(8):e23357. doi: 10.1002/bip.23357. Epub 2020 May 5.

Abstract

Mycodextran-also known as nigeran-is an unbranched polysaccharide made of α-d-glucopyranose units alternatively connected by (1 → 3) and (1 → 4) glycosidic linkages produced intracellularly by Aspergillus niger and Penicillium crustosum. In this work we examine possible enforced conformational transitions in the glucopyranose rings in the nigeran oligosaccharide chains. In order to simulate such structural changes we used the Enforced Geometry Optimization (EGO) method.

Keywords: AFM; EGO method; mycodextran; nigeran; simulation.

MeSH terms

  • Carbohydrate Conformation
  • Computer Simulation
  • Disaccharides / chemistry
  • Glucans / chemistry*
  • Glycosides / chemistry*
  • Models, Molecular
  • Polysaccharides / chemistry*
  • Stress, Mechanical
  • Thermodynamics

Substances

  • Disaccharides
  • Glucans
  • Glycosides
  • Polysaccharides
  • glucan nigeran