Table 2.

Methyltransferase inhibition data and molecular docking scores for 4 – 12 with varying eastern arene (R).

Compound	R	NpmA Glide XP (kcal/mol)	%Inhibition (1 mM, NpmA)	RmtB Glide XP (kcal/mol)	%Inhibition (1 mM, RmtB)
4	2-pyridyl	−8.1	94.0 ± 0.9	−7.2	> 99 ± 1
5	3-pyridyl	−7.2	23 ± 13	−5.8	98 ± 2
6	4-pyridyl	−8.4	48 ± 5	−5.6	70 ± 10
7	2-nitrophenyl	−7.1	80 ± 4	−6.3	64 ± 3
8	3-nitrophenyl	−7.9	51 ± 5	−6.5	82 ± 3
9	4-nitrophenyl	−6.5	89 ± 2	−6.5	71 ± 10
10	phenyl	−7.7	NI	−6.6	NI
11	2-pyridyl	−7.4	NI	−6.9	NI
12	3-nitrophenyl	−8.1	> 99 ± 0.3[a]	−6.5	ND

^[a]Assay was performed at 0.5 mM. NI = no inhibition. ND = not determined.