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MOLECULAR DOCKING OF SELECTED CD22 INHIBITORS TARGETING HUMAN CD22 RECEPTOR ON B CELLS
MOLECULAR DOCKING OF SELECTED CD22 INHIBITORS TARGETING HUMAN CD22 RECEPTOR ON B CELLS
Hawzheen Aziz Muhammad a
a Department of Microbiology, College of Medicine, University of Sulaimani, Kurdistan Region, Iraq.
Submitted: 161/1/2020; Accepted: 1/12/2020; Published: 21/12/2020
DOI Link: https://doi.org/10.17656/jsmc.10276
ABSTRACT
Background
The CD22 is a B cell restricted receptor with a critical role in the maintenance of B cell inhibition to maintain humoral immunity homeostasis. The inhibitory function of CD22 and its specific expression on B cells makes it an attractive target for B cell depletion in autoimmune diseases and B cell derived malignancies.
Objectives
Determine the potential affinity for binding of fifteen commercially available CD22 inhibitors targeting CD22 protein was investigated using iGemdock software.
Methods
In the present study, the binding affinities of fifteen commercially available CD22 inhibitors have been investigated on CD22 protein using iGemdock software.
Results
The results showed that CD22 inhibitor, Thapsigargin produced greater affinity for the CD22 protein with the first rank. It binds with the CD22 protein with lowest interaction energy (fitness value) of -75.465 kcal/mol.
Conclusion
The interaction confirms that the studied inhibitors interacted with CD22 protein by building hydrogen bonds with active site residues in addition to the hydrophobic interactions. Further in vitro studies are required to confirm these results.
KEYWORDS
CD22 inhibitors; Cell Signalling; Docking; iGemdock software.
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