Optimization of the Interligand Overhauser Effect for Fragment Linking: Application to Inhibitor Discovery against Mycobacterium tuberculosis Pantothenate Synthetase

摘要

Tuberculosis (TB) is a recognized health problem leading to over 2 million deaths each year. Despite the high mortality, no new front-line drugs against TB have been introduced to the market for 40 years. There is evidence that pantothenate synthetase (PtS) may be a potential drug target in Mycobacterium tuberculosis. This enzyme catalyzes the magnesium-ATP-dependent condensation of pantoate and β-alanine to form pantothenate (vitamin B_5).