Comparative modeling of UDP-N-acetylmuramoyl-glycyl-D-glutamate-2, 6-diaminopimelate ligase from Mycobacterium leprae and analysis of its binding features through molecular docking studies

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Shanmugam, Anusuya and Natarajan, Jeyakumar (2012) Comparative modeling of UDP-N-acetylmuramoyl-glycyl-D-glutamate-2, 6-diaminopimelate ligase from Mycobacterium leprae and analysis of its binding features through molecular docking studies. Journal of Molecular Modeling, 18 (1). pp. 115-125. ISSN 1610-2940

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Abstract

The 3D structure of MurE enzyme from Mycobacterium leprae was modeled based on E. coli MurE structure. Docking with substrates (meso-diaminopimelic acid and UDP-N-acetyl muramoyl-glycyl-D-glutamate) and ATP revealed binding residues and acylphosphate intermediate formation. This model provides insights for designing selective MurE inhibitors for leprosy treatment. © 2011 Springer-Verlag. © 2012 Elsevier B.V., All rights reserved.

Item Type: Article
Subjects: Chemistry > Catalysis
Chemistry > Inorganic Chemistry
Chemistry > Organic Chemistry
Chemistry > Physical and Theoretical Chemistry
Computer Science > Computer Science Applications
Computer Science > Computational Theory and Mathematics
Divisions: Pharmacy > Vinayaka Mission’s College of Pharmacy, Salem > Pharmacy
Depositing User: Unnamed user with email techsupport@mosys.org
Last Modified: 10 Dec 2025 06:43
URI: https://ir.vmrfdu.edu.in/id/eprint/4110

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