Table 1 Comparison of in vitro activity and molecular docking studies
From: In silico design and synthesis of hesperitin derivatives as new xanthine oxidase inhibitors
Compound | Docking score | ▲G (KJ/mol) | IC50 (µM) |
|---|---|---|---|
HET1 | − 10.297 | − 61.495 | 18.98 ± 0.50 |
HET2 | − 9.106 | − 48.846 | 23.15 ± 1.25 |
HET3 | − 10.827 | − 53.951 | 12.91 ± 0.72 |
HET4 | − 13.257 | − 77.252 | 09.09 ± 0.03 |
HET5 | − 12.148 | − 59.473 | 10.76 ± 0.05 |
HET6 | − 13.056 | − 69.729 | 11.70 ± 0.01 |
Hesperitin | − 6.461 | − 35.334 | 29.25 ± 0.12 |
Allopurinol | − 3.366 | − 17.231 | 10.41 ± 0.72 |