An immunoinformatic approach employing molecular docking and molecular dynamics simulation for evaluation of<scp>l</scp>-asparaginase produced by<i>Bacillus velezensis</i>

Hozoorbakhsh, Fereshteh; Ghiasian, Mozhgan; Ghandehari, Fereshte; Emami‐Karvani, Zarrindokht; Dehkordi, Maryam Khademi

doi:10.1080/07391102.2022.2139765

Cited by 1 publication

(1 citation statement)

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“…Key residues in the protein-ligand complex were identified as Thr36, Tyr50, Ala47, Thr116, Asp117, Met142, Thr193 and Thr192. Molecular docking analyses also showed that L-ASNase does not lose stability, secondary structure or compactness when it binds to L-asparagine [258].…”

Section: Molecular Docking Of Ligand Bindingmentioning

confidence: 98%

Engineering and Expression Strategies for Optimization of L-Asparaginase Development and Production

Shishparenok,

Gladilina,

Zhdanov

2023

IJMS

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Genetic engineering for heterologous expression has advanced in recent years. Model systems such as Escherichia coli, Bacillus subtilis and Pichia pastoris are often used as host microorganisms for the enzymatic production of L-asparaginase, an enzyme widely used in the clinic for the treatment of leukemia and in bakeries for the reduction of acrylamide. Newly developed recombinant L-asparaginase (L-ASNase) may have a low affinity for asparagine, reduced catalytic activity, low stability, and increased glutaminase activity or immunogenicity. Some successful commercial preparations of L-ASNase are now available. Therefore, obtaining novel L-ASNases with improved properties suitable for food or clinical applications remains a challenge. The combination of rational design and/or directed evolution and heterologous expression has been used to create enzymes with desired characteristics. Computer design, combined with other methods, could make it possible to generate mutant libraries of novel L-ASNases without costly and time-consuming efforts. In this review, we summarize the strategies and approaches for obtaining and developing L-ASNase with improved properties.

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Section: Molecular Docking Of Ligand Bindingmentioning

confidence: 98%