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. 2020 Jan 13;5(3):1549–1556. doi: 10.1021/acsomega.9b03487

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