Fragment-like inhibitors of InhA
What is it about?
A docking experiment using 5.6M molecules against M. tuberculosis InhA. Of these the NCI compounds (316000) were evaluated as it was free to obtain samples. 91 compounds were visually inspected,, 19 tested in the enzyme assay and 8 compounds inhibited the enzyme.
Why is it important?
This shows we can find fragment like leads in the NCI compounds which represents approx. 5% of all the compounds docked in the GO FAM experiment. The hits have low structural similarity to known InhA inhibitors.
The following have contributed to this page: Dr Sean Ekins