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  • Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.

Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.

Cell (2017-07-04)
Anup Aggarwal, Maloy K Parai, Nishant Shetty, Deeann Wallis, Lisa Woolhiser, Courtney Hastings, Noton K Dutta, Stacy Galaviz, Ramesh C Dhakal, Rupesh Shrestha, Shoko Wakabayashi, Chris Walpole, David Matthews, David Floyd, Paul Scullion, Jennifer Riley, Ola Epemolu, Suzanne Norval, Thomas Snavely, Gregory T Robertson, Eric J Rubin, Thomas R Ioerger, Frik A Sirgel, Ruben van der Merwe, Paul D van Helden, Peter Keller, Erik C Böttger, Petros C Karakousis, Anne J Lenaerts, James C Sacchettini
ABSTRACT

Widespread resistance to first-line TB drugs is a major problem that will likely only be resolved through the development of new drugs with novel mechanisms of action. We have used structure-guided methods to develop a lead molecule that targets the thioesterase activity of polyketide synthase Pks13, an essential enzyme that forms mycolic acids, required for the cell wall of Mycobacterium tuberculosis. Our lead, TAM16, is a benzofuran class inhibitor of Pks13 with highly potent in vitro bactericidal activity against drug-susceptible and drug-resistant clinical isolates of M. tuberculosis. In multiple mouse models of TB infection, TAM16 showed in vivo efficacy equal to the first-line TB drug isoniazid, both as a monotherapy and in combination therapy with rifampicin. TAM16 has excellent pharmacological and safety profiles, and the frequency of resistance for TAM16 is ∼100-fold lower than INH, suggesting that it can be developed as a new antitubercular aimed at the acute infection. PAPERCLIP.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Copper(II) trifluoromethanesulfonate, 98%
Sigma-Aldrich
4-Methylumbelliferyl heptanoate, ≥95% (GC)
Sigma-Aldrich
TAM1 hydrochloride, ≥98% (HPLC)