Table 1. Descriptors of the Drugs, Amounts of Loaded Drug, and the Obtained Binding Energies from Docking of the Drugs on a Simulated Gelatin Matrix.
| drug | xLogP | no. H-bond donors | no. H-bond acceptors | molecular weight (g/mol) | actual amount of drug loaded (mg/100 mg gelatin) | Lamarckian genetic algorithm ΔG (kcal/mol) |
|---|---|---|---|---|---|---|
| acyclovir | –1.650 | 3 | 8 | 225.21 | 8.74 | –3.94 |
| amphotericin B | 2.068 | 12 | 18 | 923.49 | 1.16 | 144.4 |
| cryptolepine | 2.180 | 0 | 2 | 233.30 | 2.00 | –3.81 |
| doxorubicin | –1.900 | 6 | 9 | 543.52 | 2.10 | 58.29 |
| 5-fluorouracil | –0.760 | 2 | 4 | 130.00 | 25.07 | –4.19 |
| isoniazid | –0.683 | 3 | 4 | 137.14 | 22.00 | –4.16 |
| resveratrol | 2.050 | 3 | 3 | 228.24 | 1.96 | –3.74 |
| curcumin | 1.95 | 2 | 6 | 368.13 | 3.50 | –2.59 |
| paclitaxel | 6.15 | 4 | 14 | 853.33 | 0.52 | 173.5 |
| indomethacin | 3.78 | 1 | 4 | 338.14 | 1.91 | –1.99 |