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Table 6 Binding free energy components of S10 and diazepam in complex with 6X3X pdb code GABA-A receptor

From: Efficient synthesis of 1,3-naphtoxazine derivatives using reusable magnetic catalyst (GO-Fe3O4–Ti(IV)): anticonvulsant evaluation and computational studies

System Energy (Kcal/mol) ± SD
VdWa Elecb Polar solvation SASAc Binding
S10 − 41.486 ± 2.277 − 13.092 ± 3.363 3.451 ± 1.273 − 4.722 ± 0.925 − 37.168 ± 2.541
Diazepam − 30.098 ± 2.923 − 6.217 ± 3.154 2.631 ± 1.854 − 4.064 ± 0.929 − 27.350 ± 2.798
  1. aVander walls; bElectrostatic energies; cSolvent Accessible Surface Area