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

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

Anamika Basu
Copyright: © 2020 |Pages: 8
DOI: 10.4018/IJARB.2020070102
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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.
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Materials And Methods

Generation of Structural Models of Expansin Proteins in Calotropis Procera

Four expansin protein sequences of Calotropis procera are extracted from UNIPROT database. Using FASTA sequences of these proteins e.g. CpEXPA1, CpEXPA2, CpEXPA3 and CpEXPA4, homology modeled structures are derived from SWISS-MODEL (Arnold, et al, 2006) evaluating by GMQE score. A phylogenetic tree has been built up with these sequences.

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