Molecular Docking Study of Expansin Proteins in Fibers of Medicinal Plants Calotropis Procera

Abstract

Calotropis procera is used in several traditional medicines to treat a variety of diseases. Calotropis is also used as a homeopathic medicine. The bast fiber can substitute cotton wool for surgical or stuffing purposes. This fiber can be used as an excellent model system to study the genes involved in fiber elongation. Expansins are typically 250-275 amino acids long, pH-dependent cell wall-loosening proteins required for cell wall expansion in many developmental processes. Four Expansin A proteins are present in fast growing Calotropis procera fibers. Expansins proteins disrupt the cellulose-hemicellulose network transiently, allowing slippage of cell wall polymers. But the molecular mechanism by which expansin loosens the cellulosic network is not yet established. To understand of the role of protein expansins in the xyloglucan-cellulose, different computational biology techniques are used. Molecular docking analysis of protein expansins with ligand xylose present in xyloglucan shows that arginine and serine are responsible for protein-ligand interactions.