Binding energy (ΔG) and the percentage DHFR inhibition of the synthesized compounds against DHFR.

Compound	Glide score (kcal mol−1)	%DHFR inhibition at 10 μg mL−1 (mean ± SEM)
MS1	−6.4	65.5 ± 0.12
MS2	−7.1	61.4 ± 0.09
MS3	−6.7	62.3 ± 0.15
DS1	−5.7	68.7 ± 0.07
DS2	−6.7	75.4 ± 0.12
DS3	−6.9	63.4 ± 0.09
DS4	−7.5	64.6 ± 0.03
DS5	−6.3	68.9 ± 0.03
DS6	−7.2	71.5 ± 0.09
TS1	−5.5	65.6 ± 0.03
TS2	−5.6	69.5 ± 0.17
TS3	−7.7	67.8 ± 0.13
TS4	−6.2	59.6 ± 0.07
TS5	−7.9	64.8 ± 0.09
TS6	−4.7	58.6 ± 0.03
aTrimethoprim	−5.9	74.6 ± 0.09

^aReference DHFR inhibitor.