MOLECULAR DOCKING OF SELECTED CD22 INHIBITORS TARGETING HUMAN CD22 RECEPTOR ON B CELLS

Volume 10 , Issue 3 , December 2020 , Pages 355-369

Authors

Hawzheen Aziz Muhammad 1

1 Department of Microbioloy, College of Medicine, University of Sulaimani, Kurdistan Region, Iraq.

DOI logo 10.17656/jsmc.10276

Keywords

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.

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  • Published at21 December 2020

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