Immuno-informatics and Bioinformatics Analysis of Type II Asparaginasefrom Campylobacter jejuni and Escherichia coli Activity as Anti-Cancer (ALL)

Abstract

Acute lymphoblastic leukemia (ALL) is the most common childhood cancer, that requires
ongoing research for more effective treatments. However, the new approach for using L-asparaginase
(L-ASNase) which plays a crucial role in ALL therapy by depleting asparagine and glutamine,
essential for leukemic cell survival. This study employed molecular docking and immunoinformatics
to investigate the therapeutic potential of type II L-asparaginase from Escherichia coli and
Campylobacter jejuni against ALL. Molecular docking simulations revealed strong binding affinities
between the enzymes and their substrates. The tested L-asparaginase (ASPA) showed binding scores
of -4.5 kcal/mol and -4.7 kcal/mol at two test sites, comparable to or better than the standard sites (-
4.8 kcal/mol). Similarly, the tested glutaminase (GLU) enzyme demonstrated binding scores of -4.5
kcal/mol and -5.3 kcal/mol, matching or exceeding the standard sites (-4.5 kcal/mol and -5.2
kcal/mol). Immunogenicity and allergenicity predictions indicated low antigenicity scores for both
tested and standard enzymes, suggesting a favorable safety profile. These findings highlight the
potential of type II L-asparaginases as safe and effective therapeutic alternatives for ALL. More in
vitro and in vivo investigations.