Table 1 Peptides Synthesized for and their IC50 values against hDHFR.
From: Optimized peptide based inhibitors targeting the dihydrofolate reductase pathway in cancer
Peptide no. | Peptide Sequence | % Yield | Theoretical/Experimental mass | Docking score/Binding energy (kcal/mol) | IC50 (µM) |
|---|---|---|---|---|---|
1 | Tyr-Phe-Met-Leu | 78 | 573.2741 573.2740 | −5.4 −28.7 | >100 |
2 | Phe-Met-Tyr-Leu | 76 | 573.2741 573.2846 | −11.5 −35.6 | 0.13 |
3 | Phe-Tyr-Met-Gly | 77 | 517.2015 517.1975 | −4.9 −27.5 | 5.6 |
4 | Met-Phe-Tyr-Gly | 74 | 517.2015 517.2012 | −3.8 −23.9 | >90 |
5 | Tyr-Met-Ser-Leu | 68 | 513.2377 513.2314 | −7.2 −28.6 | >100 |
6 | Met-Tyr-Ser-Leu | 66 | 513.2377 513.2342 | −7.1 −26.5 | 8 |
7 | Tyr-Phe-Met-Leu-Gly | 62 | 630.2995 630.2831 | −7.5 −21.5 | >100 |
8 | Phe-Met-Tyr-Leu-Gly | 65 | 630.2995 630.3052 | −8.1 −20.7 | >100 |
9 | Phe-Tyr-Met-Gly-Leu | 69 | 630.2995 630.3023 | −2.7 −15.9 | >80 |
10 | Met-Phe-Tyr-Gly-Leu | 63 | 630.2995 630.3029 | −1.8 −14.5 | >100 |
11 | Tyr-Ser-Phe-Met-Leu | 62 | 660.3031 660.2962 | −9.7 −29.9 | 0.08 |
12 | Tyr-Met-Phe-Ser-Leu | 66 | 660.3031 660.2989 | −5.1 −23.7 | >90 |
MTX | Methotrexate | — | — | −12.3 −31.8 | 0.08 |
