期刊
ACS INFECTIOUS DISEASES
卷 6, 期 5, 页码 1098-1109出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsinfecdis.9b00493
关键词
KasA; Ames; mutagenicity; tuberculosis; lead optimization; anilines
资金
- TB Alliance
In the course of optimizing a novel indazole sulfonamide series that inhibits beta-ketoacyl-ACP synthase (KasA) of Mycobacterium tuberculosis, a mutagenic aniline metabolite was identified. Further lead optimization efforts were therefore dedicated to eliminating this critical liability by removing the embedded aniline moiety or modifying its steric or electronic environment. While the narrow SAR space against the target ultimately rendered this goal unsuccessful, key structural knowledge around the binding site of this underexplored target for TB was generated to inform future discovery efforts.
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