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. Author manuscript; available in PMC: 2020 Jul 1.
Published in final edited form as: Curr Med Chem. 2020;27(21):3412–3447. doi: 10.2174/0929867325666181120101147

Figure 4.

Figure 4

The chemical structures of saccharide and nonsaccharide ATIII activators. A) Structure-activity relationship studies revealed that the trisaccharide unit (DEF; 2) from the nonreducing end of the pentasaccharide (DEFGH; 1) is critical for both the initial recognition and the conformational activation processes. The trisaccharide DEF binds to ATIII with a KD value of 2 µM (pH 6.0) and accelerates ATIII-mediated inhibition of FXa nearly 300-fold which is equivalent to the acceleration obtained by the pentasaccharide DEFGH. B) The first generation of flavonoid-based sulfated NSGMs (3–8) was computationally designed to promote ATIII-mediated FXa inhibition. First generation molecules bind to ATIII with KD values of 3.5 – 26 µM (pH 6.0) and accelerate FXa inhibition by 8–22-fold.