Table 1 Docking binding energy (ΔG) values after docking of the investigated drugs on the nose-to-brain related macromolecules.

From: Comparing cefotaxime and ceftriaxone in combating meningitis through nose-to-brain delivery using bio/chemoinformatics tools

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

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