Homology modeling and docking analyses of M. leprae Mur ligases reveals the common binding residues for structure based drug designing to eradicate leprosy

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Shanmugam, Anusuya and Natarajan, Jeyakumar (2012) Homology modeling and docking analyses of M. leprae Mur ligases reveals the common binding residues for structure based drug designing to eradicate leprosy. Journal of Molecular Modeling, 18 (6). pp. 2659-2672. ISSN 1610-2940

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Abstract

This study addressed multi-drug resistance in Mycobacterium leprae and proposed multi-targeted therapy by targeting four Mur ligase enzymes (MurC, MurD, MurE, MurF) in peptidoglycan biosynthesis. 3D structures were modeled and substrate/ATP docking predicted conserved residues important for catalytic activity. These residues serve as potential targets for designing new anti-leprosy drugs with higher efficacy. © Springer-Verlag 2011. © 2013 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: Medicine > Vinayaka Mission's Kirupananda Variyar Medical College and Hospital, Salem > Microbiology
Depositing User: Unnamed user with email techsupport@mosys.org
Last Modified: 10 Dec 2025 06:42
URI: https://ir.vmrfdu.edu.in/id/eprint/4101

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