Computational design and discovery of conformationally flexible inhibitors of acetohydroxyacid synthase to overcome drug resistance associated with the W586L mutation

(Figure Presented) Rational design: A series of 2-aroxyl-1,2,4-triazolo[1, 5-c]pyrimidine derivatives were computationally designed (see scheme) and synthesized as conformationally flexible AHAS inhibitors. These compounds could find use as new leads for combating drug resistance.