Table 3.

Type-2 alkene HSAB and kinetic parameters for interactions with GAPDH.

Electrophilea	σ (× 10–3/eV)	ω (eV)	log k2	log KI
Acroleinb	371	3.82	4.250	–4.419
MVK	363	3.38	3.885	–4.220
ACR	315	2.61	0.502	–0.607
aHSAB (σ, ω) and kinetic parameters (k2, KI) were calculated as described by Martyniuk et al. (2012). bBased on the HSAB parameters, acrolein and MVK are significantly softer and more reactive electrophiles than ACR (i.e., larger values of σ and ω, respectively). The rank orders of respective σ and ω values for each type-2 alkene were closely correlated to the corresponding rate constants (k2; r2 = 0.9996 and 0.9359, respectively) and relative potencies (KI; r2 = 0.9926 and 0.9004, respectively) for inhibition of GAPDH activity.