Essential Metabolites of Mycobacterium tuberculosis and Their Mimics

  • Gyanu Lamichhane, Joel S. Freundlich, Sean Ekins, Niluka Wickramaratne, Scott T. Nolan, William R. Bishai
  • mBio, February 2011, ASM Journals
  • DOI: 10.1128/mbio.00301-10

mimicing essential metabolites

What is it about?

This study incorporated identification of putative essential genes and used essential metabolites to search for mimics using chemical similarity for Mycobacterium tuberculosis. We focused on 3 key pathways. We also used pharmacophore searching to identify a couple of molecules that shared molecular similarity with essential metabolites.

Why is it important?

This approach could be used to identify potential chemical probes or starting points for drug discovery efforts. We utilized public data in CDD to identify compounds with apparent similarity to essential metabolites.

Perspectives

Dr Sean Ekins
Collaborations in Chemistry

This represented our earliest effort on the mimic approach which was later developed into a STTR grant and lead to additional papers using similar approaches. It all started here. This work could also assist others in rethinking how they go about discovering compounds targeting potential essential metabolites.

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http://dx.doi.org/10.1128/mbio.00301-10

The following have contributed to this page: Dr Sean Ekins and Joel Freundlich