Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery

  • Sean Ekins, Joel S. Freundlich, Inhee Choi, Malabika Sarker, Carolyn Talcott
  • Trends in Microbiology, February 2011, Elsevier
  • DOI: 10.1016/j.tim.2010.10.005

Computational tools for TB drug discovery

What is it about?

A comprehensive review of Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery. Basically how software tools have been used in these areas to aid drug discovery.

Why is it important?

To this point in time no group had brought all these aspects together in a complete review for TB and antibacterial drug discovery. There were reviews on one aspect or another but not all combined.

Perspectives

Dr Sean Ekins
Collaborations in Chemistry

It was important to bring together perspectives from different collaborators at that time. Following this we did more work on pathway tools with SRI - but this was pretty early stages. We also did much more on the cheminformatics side so this review was pretty much a foundation for what came after.

Read Publication

http://dx.doi.org/10.1016/j.tim.2010.10.005

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