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. 2020 Dec 4;10:21250. doi: 10.1038/s41598-020-78327-w

Table 1.

Docking binding energy (ΔG) values after docking of the investigated drugs on the nose-to-brain related macromolecules.

Macromolecule (carrier/protein)—PDB code Binding energy (kcal/mole)
Cefotaxime Ceftriaxone
Gelatin matrix (gelatin nanospheres) − 8.53 ± 0.4 − 11.68 ± 0.5
Tripalmitin matrix (solid lipid nanoparticles) − 9.60 ± 0.2 − 10.77 ± 0.4
Mucin—2ACM − 11.67 ± 0.2 − 11.70 ± 0.2
P-gp efflux pump—3G61 − 8.95 ± 0.3 − 10.22 ± 0.4
Protein binding protein 1A (PBP-1A) 26CW − 12.32 ± 0.1 − 13.18 ± 0.2
Protein binding protein 2B (PBP-2B) 2WAD − 12.11 ± 0.2 − 14.35 ± 0.03