Table 2 Results of pharmacophore model and screened compounds with their expected IC₅₀ against C. Albicans DHFR:

65

0.03

0.0381054

8.80481

66

0.02

0.0282653

8.93455

Methotrexate

0.002

0.00165745

10.1664

Epigallocatechin-3-gallate

5

6.85022

6.5501

Trimethoprim

50

24.7068

5.99298

Test set

Actual value (IC50) in µM

Estimate value

Fit value

67

0.049

0.357903

7.83204

Pyrimethamine

4.8

15.7163

6.18945

Phytocompounds

Estimate value

Fit value

1

33.049

3.86664

2

24.729

5.99258

3

24.496

2.9967

4

22.544

6.03277

5

24.710

5.99291

6

24.705

5.99301